data_H
#
_element.symbol                H
_element.name                  Hydrogen
_element.number                1
_element.atomic_weight         1.007940
_element.van_der_walls_radius  1.200000
_element.covalent_radius       0.320
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   0.493002  0.322912  0.140191  0.040810  10.510900  26.125700
3.142360    57.799698  0.003038
CuKa  -1  0.897661  0.565616  0.415815  0.116973  53.136799  15.187000
186.575989  3.567090   0.002389
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   0.000000  0.000000
Mo  0   0.000000  0.000000
Cu  -1  0.000000  0.000000
Mo  -1  0.000000  0.000000
#
data_He
#
_element.symbol                He
_element.name                  Helium
_element.number                2
_element.atomic_weight         4.002602
_element.van_der_walls_radius  1.400000
_element.covalent_radius       0.93
_element.color_rgb             '#FFFFFF'
#
_scattering_factors.wavelength  CuKa
_scattering_factors.charge      0
_scattering_factors.a1          0.873400
_scattering_factors.a2          0.630900
_scattering_factors.a3          0.311200
_scattering_factors.a4          0.178000
_scattering_factors.b1          9.103700
_scattering_factors.b2          3.356800
_scattering_factors.b3          22.927601
_scattering_factors.b4          0.982100
_scattering_factors.c           0.006400
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0  0.000000  0.000000
Mo  0  0.000000  0.000000
#
data_Li
#
_element.symbol                Li
_element.name                  Lithium
_element.number                3
_element.atomic_weight         6.941000
_element.van_der_walls_radius  1.820000
_element.covalent_radius       1.23
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   1.128200  0.750800  0.617500  0.465300  3.954600  1.052400  85.390503
168.261002  0.037700
CuKa  +1  0.696800  0.788800  0.341400  0.156300  4.623700  1.955700  0.631600 
10.095300   0.016700
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   0.001000  0.000000
Mo  0   0.000000  0.000000
Cu  +1  0.001000  0.000000
Mo  +1  0.000000  0.000000
#
data_Be
#
_element.symbol                Be
_element.name                  Beryllium
_element.number                4
_element.atomic_weight         9.012182
_element.van_der_walls_radius  2.000000
_element.covalent_radius       0.9
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   1.591900  1.127800  0.539100  0.702900  43.642700  1.862300
103.483002  0.542000  0.038500 
CuKa  +2  6.260300  0.884900  0.799300  0.164700  0.002700   0.831300
2.275800    5.114600  -6.109200
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   0.003000  0.001000
Mo  0   0.000000  0.000000
Cu  +2  0.003000  0.001000
Mo  +2  0.000000  0.000000
#
data_B
#
_element.symbol                B
_element.name                  Boron
_element.number                5
_element.atomic_weight         10.811000
_element.van_der_walls_radius  2.000000
_element.covalent_radius       0.82
_element.color_rgb             '#FFFFFF'
#
_scattering_factors.wavelength  CuKa
_scattering_factors.charge      0
_scattering_factors.a1          2.054500
_scattering_factors.a2          1.332600
_scattering_factors.a3          1.097900
_scattering_factors.a4          0.706800
_scattering_factors.b1          23.218500
_scattering_factors.b2          1.021000
_scattering_factors.b3          60.349800
_scattering_factors.b4          0.140300
_scattering_factors.c           -0.193200
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0  0.008000  0.004000
Mo  0  0.000000  0.001000
#
data_C
#
_element.symbol                C
_element.name                  Carbon
_element.number                6
_element.atomic_weight         12.010700
_element.van_der_walls_radius  1.700000
_element.covalent_radius       0.770
_element.color_rgb             '#AAAAAA'
#
_scattering_factors.wavelength  CuKa
_scattering_factors.charge      0
_scattering_factors.a1          2.310000
_scattering_factors.a2          1.020000
_scattering_factors.a3          1.588600
_scattering_factors.a4          0.865000
_scattering_factors.b1          20.843899
_scattering_factors.b2          10.207500
_scattering_factors.b3          0.568700
_scattering_factors.b4          51.651199
_scattering_factors.c           0.215600
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0  0.017000  0.009000
Mo  0  0.002000  0.002000
#
data_N
#
_element.symbol                N
_element.name                  Nitrogen
_element.number                7
_element.atomic_weight         14.006700
_element.van_der_walls_radius  1.550000
_element.covalent_radius       0.75
_element.color_rgb             '#0000FF'
#
_scattering_factors.wavelength  CuKa
_scattering_factors.charge      0
_scattering_factors.a1          12.212600
_scattering_factors.a2          3.132200
_scattering_factors.a3          2.012500
_scattering_factors.a4          1.166300
_scattering_factors.b1          0.005700
_scattering_factors.b2          9.893300
_scattering_factors.b3          28.997499
_scattering_factors.b4          0.582600
_scattering_factors.c           -11.528999
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0  0.029000  0.018000
Mo  0  0.004000  0.003000
#
data_O
#
_element.symbol                O
_element.name                  Oxygen
_element.number                8
_element.atomic_weight         15.999400
_element.van_der_walls_radius  1.520000
_element.covalent_radius       0.73
_element.color_rgb             '#FF0000'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   3.048500  2.286800  1.546300  0.867000    13.277100  5.701100
0.323900   32.908897  0.250800 
CuKa  -1  4.191600  1.639690  1.526730  -20.306999  12.857300  4.172360
47.017899  -0.014040  21.941200
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   0.047000  0.032000
Mo  0   0.008000  0.006000
Cu  -1  0.047000  0.032000
Mo  -1  0.008000  0.006000
#
data_F
#
_element.symbol                F
_element.name                  Fluorine
_element.number                9
_element.atomic_weight         18.998403
_element.van_der_walls_radius  1.470000
_element.covalent_radius       0.72
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   3.539200  2.641200  1.517000  1.024300  10.282499  4.294400 
0.261500  26.147600  0.277600
CuKa  -1  3.632200  3.510570  1.260640  0.940706  5.277560   14.735300
0.442258  47.343700  0.653396
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   0.069000  0.053000
Mo  0   0.014000  0.010000
Cu  -1  0.069000  0.053000
Mo  -1  0.014000  0.010000
#
data_Ne
#
_element.symbol                Ne
_element.name                  Neon
_element.number                10
_element.atomic_weight         20.179700
_element.van_der_walls_radius  1.540000
_element.covalent_radius       0.71
_element.color_rgb             '#FFFFFF'
#
_scattering_factors.wavelength  CuKa
_scattering_factors.charge      0
_scattering_factors.a1          3.955300
_scattering_factors.a2          3.112500
_scattering_factors.a3          1.454600
_scattering_factors.a4          1.125100
_scattering_factors.b1          8.404200
_scattering_factors.b2          3.426200
_scattering_factors.b3          0.230600
_scattering_factors.b4          21.718399
_scattering_factors.c           0.351500
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0  0.097000  0.083000
Mo  0  0.021000  0.016000
#
data_Na
#
_element.symbol                Na
_element.name                  Sodium
_element.number                11
_element.atomic_weight         22.989770
_element.van_der_walls_radius  2.270000
_element.covalent_radius       1.54
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   4.762600  3.173600  1.267400  1.112800  3.285000  8.842199  0.313600
129.423996  0.676000
CuKa  +1  3.256500  3.936200  1.399800  1.003200  2.667100  6.115300  0.200100
14.039000   0.404000
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   0.129000  0.124000
Mo  0   0.030000  0.025000
Cu  +1  0.129000  0.124000
Mo  +1  0.030000  0.025000
#
data_Mg
#
_element.symbol                Mg
_element.name                  Magnesium
_element.number                12
_element.atomic_weight         24.305000
_element.van_der_walls_radius  1.730000
_element.covalent_radius       1.36
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   5.420400  2.173500  1.226900  2.307300  2.827500  79.261101  0.380800
7.193700   0.858400
CuKa  +2  3.498800  3.837800  1.328400  0.849700  2.167600  4.754200   0.185000
10.141100  0.485300
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   0.165000  0.177000
Mo  0   0.042000  0.036000
Cu  +2  0.165000  0.177000
Mo  +2  0.042000  0.036000
#
data_Al
#
_element.symbol                Al
_element.name                  Aluminium
_element.number                13
_element.atomic_weight         26.981538
_element.van_der_walls_radius  2.000000
_element.covalent_radius       1.18
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   6.420200  1.900200  1.593600  1.964600  3.038700  0.742600  31.547199
85.088600  1.115100
CuKa  +3  4.174480  3.387600  1.202960  0.528137  1.938160  4.145530  0.228753 
8.285240   0.706786
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   0.204000  0.246000
Mo  0   0.056000  0.052000
Cu  +3  0.204000  0.246000
Mo  +3  0.056000  0.052000
#
data_Si
#
_element.symbol                Si
_element.name                  Silicon
_element.number                14
_element.atomic_weight         28.085500
_element.van_der_walls_radius  2.100000
_element.covalent_radius       1.11
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   6.291500  3.035300  1.989100  1.541000  2.438600  32.333698  0.678500
81.693695  1.140700
CuKa  +4  4.439180  3.203450  1.194530  0.416530  1.641670  3.437570   0.214900
6.653650   0.746297
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   0.244000  0.330000
Mo  0   0.072000  0.071000
Cu  +4  0.244000  0.330000
Mo  +4  0.072000  0.071000
#
data_P
#
_element.symbol                P
_element.name                  Phosphorus
_element.number                15
_element.atomic_weight         30.973761
_element.van_der_walls_radius  1.800000
_element.covalent_radius       1.06
_element.color_rgb             '#FFFFFF'
#
_scattering_factors.wavelength  CuKa
_scattering_factors.charge      0
_scattering_factors.a1          6.434500
_scattering_factors.a2          4.179100
_scattering_factors.a3          1.780000
_scattering_factors.a4          1.490800
_scattering_factors.b1          1.906700
_scattering_factors.b2          27.157000
_scattering_factors.b3          0.526000
_scattering_factors.b4          68.164497
_scattering_factors.c           1.114900
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0  0.283000  0.434000
Mo  0  0.090000  0.095000
#
data_S
#
_element.symbol                S
_element.name                  Sulfur
_element.number                16
_element.atomic_weight         32.065000
_element.van_der_walls_radius  1.800000
_element.covalent_radius       1.020
_element.color_rgb             '#00FF00'
#
_scattering_factors.wavelength  CuKa
_scattering_factors.charge      0
_scattering_factors.a1          6.905300
_scattering_factors.a2          5.203400
_scattering_factors.a3          1.437900
_scattering_factors.a4          1.586300
_scattering_factors.b1          1.467900
_scattering_factors.b2          22.215099
_scattering_factors.b3          0.253600
_scattering_factors.b4          56.172001
_scattering_factors.c           0.866900
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0  0.319000  0.557000
Mo  0  0.110000  0.124000
#
data_Cl
#
_element.symbol                Cl
_element.name                  Chlorine
_element.number                17
_element.atomic_weight         35.453000
_element.van_der_walls_radius  1.750000
_element.covalent_radius       0.99
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   11.460400  7.196400  6.255600  1.645500  0.010400  1.166200
18.519400  47.778400  -9.557400 
CuKa  -1  18.291500  7.208400  6.533700  2.338600  0.006600  1.171700
19.542400  60.448601  -16.378000
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   0.348000  0.702000
Mo  0   0.132000  0.159000
Cu  -1  0.348000  0.702000
Mo  -1  0.132000  0.159000
#
data_Ar
#
_element.symbol                Ar
_element.name                  Argon
_element.number                18
_element.atomic_weight         39.948000
_element.van_der_walls_radius  1.880000
_element.covalent_radius       0.98
_element.color_rgb             '#FFFFFF'
#
_scattering_factors.wavelength  CuKa
_scattering_factors.charge      0
_scattering_factors.a1          7.484500
_scattering_factors.a2          6.772300
_scattering_factors.a3          0.653900
_scattering_factors.a4          1.644200
_scattering_factors.b1          0.907200
_scattering_factors.b2          14.840700
_scattering_factors.b3          43.898300
_scattering_factors.b4          33.392899
_scattering_factors.c           1.444500
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0  0.366000  0.872000
Mo  0  0.155000  0.201000
#
data_K
#
_element.symbol                K
_element.name                  Potassium
_element.number                19
_element.atomic_weight         39.098300
_element.van_der_walls_radius  2.750000
_element.covalent_radius       2.03
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   8.218599  7.439800  1.051900  0.865900  12.794900  0.774800
213.186996  41.684097  1.422800 
CuKa  +1  7.957800  7.491700  6.359000  1.191500  12.633100  0.767400
-0.002000   31.912800  -4.997800
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   0.365000  1.066000
Mo  0   0.179000  0.250000
Cu  +1  0.365000  1.066000
Mo  +1  0.179000  0.250000
#
data_Ca
#
_element.symbol                Ca
_element.name                  Calcium
_element.number                20
_element.atomic_weight         40.078000
_element.van_der_walls_radius  2.000000
_element.covalent_radius       1.74
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   8.626600   7.387300  1.589900  1.021100  10.442100  0.659900
85.748398  178.436996  1.375100  
CuKa  +2  15.634800  7.951800  8.437200  0.853700  -0.007400  0.608900
10.311600  25.990499   -14.875000
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   0.341000  1.286000
Mo  0   0.203000  0.306000
Cu  +2  0.341000  1.286000
Mo  +2  0.203000  0.306000
#
data_Sc
#
_element.symbol                Sc
_element.name                  Scandium
_element.number                21
_element.atomic_weight         44.955910
_element.van_der_walls_radius  2.000000
_element.covalent_radius       1.44
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   9.189000   7.367900  1.640900  1.468000  9.021299  0.572900
136.108002  51.353100  1.332900 
CuKa  +3  14.400800  8.027300  1.659430  1.579360  0.298540  7.962900
-0.286040   16.066200  -6.666700
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   0.285000  1.533000
Mo  0   0.226000  0.372000
Cu  +3  0.285000  1.533000
Mo  +3  0.226000  0.372000
#
data_Ti
#
_element.symbol                Ti
_element.name                  Titanium
_element.number                22
_element.atomic_weight         47.867000
_element.van_der_walls_radius  2.000000
_element.covalent_radius       1.32
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   9.759500   7.355800  1.699100  1.902100  7.850800  0.500000
35.633801  116.104996  1.280700  
CuKa  +2  9.114230   7.621740  2.279300  0.087899  7.524300  0.457585
19.536100  61.655800   0.897155  
CuKa  +3  17.734400  8.738160  5.256910  1.921340  0.220610  7.047160
-0.157620  15.976800   -14.652000
CuKa  +4  19.511400  8.234730  2.013410  1.520800  0.178847  6.670180
-0.292630  12.946400   -13.280000
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   0.189000  1.807000
Mo  0   0.248000  0.446000
Cu  +2  0.189000  1.807000
Mo  +2  0.248000  0.446000
Cu  +3  0.189000  1.807000
Mo  +3  0.248000  0.446000
Cu  +4  0.189000  1.807000
Mo  +4  0.248000  0.446000
#
data_V
#
_element.symbol                V
_element.name                  Vanadium
_element.number                23
_element.atomic_weight         50.941500
_element.van_der_walls_radius  2.000000
_element.covalent_radius       1.22
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   10.297100  7.351100  2.070300  2.057100   6.865700  0.438500
26.893799  102.477997  1.219900
CuKa  +2  10.106000  7.354100  2.288400  0.022300   6.881800  0.440900
20.300400  115.122002  1.229800
CuKa  +3  9.431410   7.741900  2.153430  0.016865   6.395350  0.383349
15.190800  63.969002   0.656565
CuKa  +5  15.688700  8.142080  2.030810  -9.576000  0.679003  5.401350
9.972780   0.940464    1.714300
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   0.035000  2.110000
Mo  0   0.267000  0.530000
Cu  +2  0.035000  2.110000
Mo  +2  0.267000  0.530000
Cu  +3  0.035000  2.110000
Mo  +3  0.267000  0.530000
Cu  +5  0.035000  2.110000
Mo  +5  0.267000  0.530000
#
data_Cr
#
_element.symbol                Cr
_element.name                  Chromium
_element.number                24
_element.atomic_weight         51.996100
_element.van_der_walls_radius  2.000000
_element.covalent_radius       1.18
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   10.640600  7.353700  3.324000  1.492200  6.103800  0.392000
20.262600  98.739899  1.183200
CuKa  +2  9.540340   7.750900  3.582740  0.509107  5.660780  0.344261
13.307500  32.422401  0.616898
CuKa  +3  9.680900   7.811360  2.876030  0.113575  5.594630  0.334393
12.828800  32.876099  0.518275
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -0.198000  2.443000
Mo  0   0.284000   0.624000
Cu  +2  -0.198000  2.443000
Mo  +2  0.284000   0.624000
Cu  +3  -0.198000  2.443000
Mo  +3  0.284000   0.624000
#
data_Mn
#
_element.symbol                Mn
_element.name                  Manganese
_element.number                25
_element.atomic_weight         54.938049
_element.van_der_walls_radius  2.000000
_element.covalent_radius       1.17
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   11.281900  7.357300  3.019300  2.244100  5.340900  0.343200
17.867399  83.754303  1.089600
CuKa  +2  10.806100  7.362000  3.526800  0.218400  5.279600  0.343500
14.343000  41.323502  1.087400
CuKa  +3  9.845210   7.871940  3.565310  0.323613  4.917970  0.294393
10.817100  24.128099  0.393974
CuKa  +4  9.962530   7.970570  2.760670  0.054447  4.848500  0.283303
10.485200  27.573000  0.251877
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -0.568000  2.808000
Mo  0   0.295000   0.729000
Cu  +2  -0.568000  2.808000
Mo  +2  0.295000   0.729000
Cu  +3  -0.568000  2.808000
Mo  +3  0.295000   0.729000
Cu  +4  -0.568000  2.808000
Mo  +4  0.295000   0.729000
#
data_Fe
#
_element.symbol                Fe
_element.name                  Iron
_element.number                26
_element.atomic_weight         55.845000
_element.van_der_walls_radius  2.000000
_element.covalent_radius       1.17
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   11.769500  7.357300  3.522200  2.304500  4.761100  0.307200
15.353500  76.880501  1.036900
CuKa  +2  11.042400  7.374000  4.134600  0.439900  4.653800  0.305300
12.054600  31.280899  1.009700
CuKa  +3  11.176400  7.386300  3.394800  0.072400  4.614700  0.300500
11.672900  38.556599  0.970700
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -1.179000  3.204000
Mo  0   0.301000   0.845000
Cu  +2  -1.179000  3.204000
Mo  +2  0.301000   0.845000
Cu  +3  -1.179000  3.204000
Mo  +3  0.301000   0.845000
#
data_Co
#
_element.symbol                Co
_element.name                  Cobalt
_element.number                27
_element.atomic_weight         58.933200
_element.van_der_walls_radius  2.000000
_element.covalent_radius       1.16
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   12.284100  7.340900  4.003400  2.348800  4.279100  0.278400
13.535900  71.169197  1.011800
CuKa  +2  11.229600  7.388300  4.739300  0.710800  4.123100  0.272600
10.244300  25.646599  0.932400
CuKa  +3  10.337999  7.881730  4.767950  0.725591  3.909690  0.238668
8.355830   18.349100  0.286667
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -2.464000  3.608000
Mo  0   0.299000   0.973000
Cu  +2  -2.464000  3.608000
Mo  +2  0.299000   0.973000
Cu  +3  -2.464000  3.608000
Mo  +3  0.299000   0.973000
#
data_Ni
#
_element.symbol                Ni
_element.name                  Nickel
_element.number                28
_element.atomic_weight         58.693400
_element.van_der_walls_radius  1.630000
_element.covalent_radius       1.16
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   12.837600  7.292000  4.443800  2.380000  3.878500  0.256500
12.176300  66.342102  1.034100
CuKa  +2  11.416600  7.400500  5.344200  0.977300  3.676600  0.244900
8.873000   22.162600  0.861400
CuKa  +3  10.780600  7.758680  5.227460  0.847114  3.547700  0.223140
7.644680   16.967300  0.386044
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -2.956000  0.509000
Mo  0   0.285000   1.113000
Cu  +2  -2.956000  0.509000
Mo  +2  0.285000   1.113000
Cu  +3  -2.956000  0.509000
Mo  +3  0.285000   1.113000
#
data_Cu
#
_element.symbol                Cu
_element.name                  Copper
_element.number                29
_element.atomic_weight         63.546000
_element.van_der_walls_radius  1.400000
_element.covalent_radius       1.17
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   13.337999  7.167600  5.615800  1.673500  3.582800  0.247000
11.396600  64.812599  1.191000
CuKa  +1  11.947500  7.357300  6.245500  1.557800  3.366900  0.227400
8.662500   25.848700  0.890000
CuKa  +2  11.816800  7.111810  5.781350  1.145230  3.374840  0.244078
7.987600   19.896999  1.144310
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -2.019000  0.589000
Mo  0   0.263000   1.266000
Cu  +1  -2.019000  0.589000
Mo  +1  0.263000   1.266000
Cu  +2  -2.019000  0.589000
Mo  +2  0.263000   1.266000
#
data_Zn
#
_element.symbol                Zn
_element.name                  Zinc
_element.number                30
_element.atomic_weight         65.409000
_element.van_der_walls_radius  1.390000
_element.covalent_radius       1.25
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   14.074300  7.031800  5.162500  2.410000  3.265500  0.233300
10.316299  58.709702  1.304100
CuKa  +2  11.971900  7.386200  6.466800  1.394000  2.994600  0.203100
7.082600   18.099499  0.780700
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -1.612000  0.678000
Mo  0   0.222000   1.431000
Cu  +2  -1.612000  0.678000
Mo  +2  0.222000   1.431000
#
data_Ga
#
_element.symbol                Ga
_element.name                  Gallium
_element.number                31
_element.atomic_weight         69.723000
_element.van_der_walls_radius  1.870000
_element.covalent_radius       1.26
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   15.235400  6.700600  4.359100  2.962300  3.066900  0.241200
10.780500  61.413498  1.718900
CuKa  +3  12.691999  6.698830  6.066920  1.006600  2.812620  0.227890
6.364410   14.412200  1.535450
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -1.354000  0.777000
Mo  0   0.163000   1.609000
Cu  +3  -1.354000  0.777000
Mo  +3  0.163000   1.609000
#
data_Ge
#
_element.symbol                Ge
_element.name                  Germanium
_element.number                32
_element.atomic_weight         72.640000
_element.van_der_walls_radius  2.000000
_element.covalent_radius       1.22
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   16.081600  6.374700  3.706800  3.683000  2.850900  0.251600
11.446800  54.762501  2.131300
CuKa  +4  12.917200  6.700030  6.067910  0.859041  2.537180  0.205855
5.479130   11.603000  1.455720
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -1.163000  0.886000
Mo  0   0.081000   1.801000
Cu  +4  -1.163000  0.886000
Mo  +4  0.081000   1.801000
#
data_As
#
_element.symbol                As
_element.name                  Arsenic
_element.number                33
_element.atomic_weight         74.921600
_element.van_der_walls_radius  1.850000
_element.covalent_radius       1.2
_element.color_rgb             '#FFFFFF'
#
_scattering_factors.wavelength  CuKa
_scattering_factors.charge      0
_scattering_factors.a1          16.672300
_scattering_factors.a2          6.070100
_scattering_factors.a3          3.431300
_scattering_factors.a4          4.277900
_scattering_factors.b1          2.634500
_scattering_factors.b2          0.264700
_scattering_factors.b3          12.947900
_scattering_factors.b4          47.797199
_scattering_factors.c           2.531000
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0  -1.011000  1.006000
Mo  0  -0.030000  2.007000
#
data_Se
#
_element.symbol                Se
_element.name                  Selenium
_element.number                34
_element.atomic_weight         78.960000
_element.van_der_walls_radius  1.900000
_element.covalent_radius       1.16
_element.color_rgb             '#FFFFFF'
#
_scattering_factors.wavelength  CuKa
_scattering_factors.charge      0
_scattering_factors.a1          17.000599
_scattering_factors.a2          5.819600
_scattering_factors.a3          3.973100
_scattering_factors.a4          4.354300
_scattering_factors.b1          2.409800
_scattering_factors.b2          0.272600
_scattering_factors.b3          15.237200
_scattering_factors.b4          43.816299
_scattering_factors.c           2.840900
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0  -0.879000  1.139000
Mo  0  -0.178000  2.223000
#
data_Br
#
_element.symbol                Br
_element.name                  Bromine
_element.number                35
_element.atomic_weight         79.904000
_element.van_der_walls_radius  1.850000
_element.covalent_radius       1.14
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   17.178900  5.235800  5.637700  3.985100  2.172300  16.579599
0.260900  41.432800  2.955700
CuKa  -1  17.171799  6.333800  5.575400  3.727200  2.205900  19.334499
0.287100  58.153500  3.177600
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -0.767000  1.283000
Mo  0   -0.374000  2.456000
Cu  -1  -0.767000  1.283000
Mo  -1  -0.374000  2.456000
#
data_Kr
#
_element.symbol                Kr
_element.name                  Krypton
_element.number                36
_element.atomic_weight         83.798000
_element.van_der_walls_radius  2.020000
_element.covalent_radius       1.89
_element.color_rgb             '#FFFFFF'
#
_scattering_factors.wavelength  CuKa
_scattering_factors.charge      0
_scattering_factors.a1          17.355499
_scattering_factors.a2          6.728600
_scattering_factors.a3          5.549300
_scattering_factors.a4          3.537500
_scattering_factors.b1          1.938400
_scattering_factors.b2          16.562300
_scattering_factors.b3          0.226100
_scattering_factors.b4          39.397202
_scattering_factors.c           2.825000
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0  -0.665000  1.439000
Mo  0  -0.652000  2.713000
#
data_Rb
#
_element.symbol                Rb
_element.name                  Rubidium
_element.number                37
_element.atomic_weight         85.467800
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   17.178400  9.643499  5.139900  1.529200  1.788800  17.315100
0.274800  164.933990  3.487300
CuKa  +1  17.581600  7.659800  5.898100  2.781700  1.713900  14.795700
0.160300  31.208700   2.078200
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -0.574000  1.608000
Mo  0   -1.044000  2.973000
Cu  +1  -0.574000  1.608000
Mo  +1  -1.044000  2.973000
#
data_Sr
#
_element.symbol                Sr
_element.name                  Strontium
_element.number                38
_element.atomic_weight         87.620000
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   17.566299  9.818399  5.422000  2.669400    1.556400  14.098800
0.166400   132.376007  2.506400 
CuKa  +2  18.087400  8.137300  2.565400  -34.193001  1.490700  12.696300
24.565100  -0.013800   41.402500
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -0.465000  1.820000
Mo  0   -1.657000  3.264000
Cu  +2  -0.465000  1.820000
Mo  +2  -1.657000  3.264000
#
data_Y
#
_element.symbol                Y
_element.name                  Yttrium
_element.number                39
_element.atomic_weight         88.905850
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   17.775999  10.294600  5.726290  3.265880    1.402900  12.800600
0.125599   104.353996  1.912130 
CuKa  +3  17.926800  9.153100   1.767950  -33.108002  1.354170  11.214500
22.659901  -0.013190   40.260201
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -0.386000  2.025000
Mo  0   -2.951000  3.542000
Cu  +3  -0.386000  2.025000
Mo  +3  -2.951000  3.542000
#
data_Zr
#
_element.symbol                Zr
_element.name                  Zirconium
_element.number                40
_element.atomic_weight         91.224000
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   17.876499  10.948000  5.417320  3.657210   1.276180  11.916000
0.117622   87.662697  2.069290
CuKa  +4  18.166800  10.056200  1.011180  -2.647900  1.214800  10.148300
21.605400  -0.102760  9.414539
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -0.314000  2.245000
Mo  0   -2.965000  0.560000
Cu  +4  -0.314000  2.245000
Mo  +4  -2.965000  0.560000
#
data_Nb
#
_element.symbol                Nb
_element.name                  Niobium
_element.number                41
_element.atomic_weight         92.906380
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   17.614201  12.014400  4.041830   3.533460  1.188650  11.766000
0.204785   69.795700  3.755910  
CuKa  +3  19.881199  18.065300  11.017700  1.947150  0.019175  1.133050 
10.162100  28.338900  -12.912000
CuKa  +5  17.916300  13.341700  10.799000  0.337905  1.124460  0.028781 
9.282060   25.722799  -6.393400 
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -0.248000  2.482000
Mo  0   -2.197000  0.621000
Cu  +3  -0.248000  2.482000
Mo  +3  -2.197000  0.621000
Cu  +5  -0.248000  2.482000
Mo  +5  -2.197000  0.621000
#
data_Mo
#
_element.symbol                Mo
_element.name                  Molybdenum
_element.number                42
_element.atomic_weight         95.940000
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   3.702500   17.235600  12.887600  3.742900  0.277200  1.095800
11.004000  61.658401  4.387500  
CuKa  +3  21.166401  18.201700  11.742300  2.309510  0.014734  1.030310
9.536590   26.630699  -14.421000
CuKa  +5  21.014900  18.099199  11.463200  0.740625  0.014345  1.022380
8.788090   23.345200  -14.316000
CuKa  +6  17.887100  11.175000  6.578910   0.000000  1.036490  8.480610
0.058881   0.000000   0.344941  
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -0.191000  2.735000
Mo  0   -1.825000  0.688000
Cu  +3  -0.191000  2.735000
Mo  +3  -1.825000  0.688000
Cu  +5  -0.191000  2.735000
Mo  +5  -1.825000  0.688000
Cu  +6  -0.191000  2.735000
Mo  +6  -1.825000  0.688000
#
data_Tc
#
_element.symbol                Tc
_element.name                  Technetium
_element.number                43
_element.atomic_weight         98.000000
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
_scattering_factors.wavelength  CuKa
_scattering_factors.charge      0
_scattering_factors.a1          19.130100
_scattering_factors.a2          11.094800
_scattering_factors.a3          4.649010
_scattering_factors.a4          2.712630
_scattering_factors.b1          0.864132
_scattering_factors.b2          8.144870
_scattering_factors.b3          21.570700
_scattering_factors.b4          86.847198
_scattering_factors.c           5.404280
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0  -0.145000  3.005000
Mo  0  -0.590000  0.759000
#
data_Ru
#
_element.symbol                Ru
_element.name                  Ruthenium
_element.number                44
_element.atomic_weight         101.070000
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   19.267399  12.918200  4.863370  1.567560  0.808520  8.434669
24.799700  94.292801  5.378740 
CuKa  +3  18.563801  13.288500  9.326019  3.009640  0.847329  8.371640
0.017662   22.886999  -3.189200
CuKa  +4  18.500299  13.178699  4.713040  2.185350  0.844582  8.125340
0.364950   20.850399  1.423570 
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -0.105000  3.296000
Mo  0   -1.420000  0.836000
Cu  +3  -0.105000  3.296000
Mo  +3  -1.420000  0.836000
Cu  +4  -0.105000  3.296000
Mo  +4  -1.420000  0.836000
#
data_Rh
#
_element.symbol                Rh
_element.name                  Rhodium
_element.number                45
_element.atomic_weight         102.905500
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   19.295700  14.350100  4.734250  1.289180   0.751536  8.217580
25.874901  98.606201  5.328000 
CuKa  +3  18.878500  14.125900  3.325150  -6.198900  0.764252  7.844380
21.248699  -0.010360  11.867800
CuKa  +4  18.854500  13.980600  2.534640  -5.652600  0.760825  7.624360
19.331699  -0.010200  11.283500
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -0.077000  3.605000
Mo  0   -1.287000  0.919000
Cu  +3  -0.077000  3.605000
Mo  +3  -1.287000  0.919000
Cu  +4  -0.077000  3.605000
Mo  +4  -1.287000  0.919000
#
data_Pd
#
_element.symbol                Pd
_element.name                  Palladium
_element.number                46
_element.atomic_weight         106.420000
_element.van_der_walls_radius  1.630000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   19.331900  15.501699  5.295370  0.605844   0.698655  7.989290
25.205200  76.898598  5.265930 
CuKa  +2  19.170099  15.209600  4.322340  0.000000   0.696219  7.555730
22.505699  0.000000   5.291600 
CuKa  +4  19.249300  14.790000  2.892890  -7.949200  0.683839  7.148330
17.914400  0.005127   13.017400
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -0.059000  3.934000
Mo  0   -1.177000  1.007000
Cu  +2  -0.059000  3.934000
Mo  +2  -1.177000  1.007000
Cu  +4  -0.059000  3.934000
Mo  +4  -1.177000  1.007000
#
data_Ag
#
_element.symbol                Ag
_element.name                  Silver
_element.number                47
_element.atomic_weight         107.868200
_element.van_der_walls_radius  1.720000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   19.280800  16.688499  4.804500  1.046300  0.644600  7.472600
24.660500  99.815598  5.179000
CuKa  +1  19.181200  15.971900  5.274750  0.357534  0.646179  7.191230
21.732599  66.114700  5.215720
CuKa  +2  19.164299  16.245600  4.370900  0.000000  0.645643  7.185440
21.407200  0.000000   5.214040
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -0.060000  4.282000
Mo  0   -1.085000  1.101000
Cu  +1  -0.060000  4.282000
Mo  +1  -1.085000  1.101000
Cu  +2  -0.060000  4.282000
Mo  +2  -1.085000  1.101000
#
data_Cd
#
_element.symbol                Cd
_element.name                  Cadmium
_element.number                48
_element.atomic_weight         112.411000
_element.van_der_walls_radius  1.580000
_element.covalent_radius       1.688
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   19.221399  17.644400  4.461000  1.602900  0.594600  6.908900
24.700800  87.482498  5.069400
CuKa  +2  19.151400  17.253500  4.471280  0.000000  0.597922  6.806390
20.252100  0.000000   5.119370
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -0.079000  4.653000
Mo  0   -1.005000  1.202000
Cu  +2  -0.079000  4.653000
Mo  +2  -1.005000  1.202000
#
data_In
#
_element.symbol                In
_element.name                  Indium
_element.number                49
_element.atomic_weight         114.818000
_element.van_der_walls_radius  1.930000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   19.162399  18.559601  4.294800  2.039600  0.547600  6.377600
25.849899  92.802902  4.939100
CuKa  +3  19.104500  18.110800  3.788970  0.000000  0.551522  6.324700
17.359501  0.000000   4.996350
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -0.126000  5.045000
Mo  0   -0.936000  1.310000
Cu  +3  -0.126000  5.045000
Mo  +3  -0.936000  1.310000
#
data_Sn
#
_element.symbol                Sn
_element.name                  Tin
_element.number                50
_element.atomic_weight         118.710000
_element.van_der_walls_radius  2.170000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   19.188900  19.100500  4.458500  2.466300  5.830300  0.503100
26.890900  83.957100  4.782100
CuKa  +2  19.109400  19.054800  4.564800  0.487000  0.503600  5.837800
23.375200  62.206100  4.786100
CuKa  +4  18.933300  19.713100  3.418200  0.019300  5.764000  0.465500
14.004900  -0.758300  3.918200
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -0.194000  5.459000
Mo  0   -0.873000  1.424000
Cu  +2  -0.194000  5.459000
Mo  +2  -0.873000  1.424000
Cu  +4  -0.194000  5.459000
Mo  +4  -0.873000  1.424000
#
data_Sb
#
_element.symbol                Sb
_element.name                  Antimony
_element.number                51
_element.atomic_weight         121.760000
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   19.641800  19.045500  5.037100  2.682700  5.303400  0.460700
27.907400  75.282501  4.590900
CuKa  +3  18.975500  18.932999  5.107890  0.288753  0.467196  5.221260
19.590200  55.511299  4.696260
CuKa  +5  19.868500  19.030199  2.412530  0.000000  5.448530  0.467973
14.125900  0.000000   4.692630
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -0.287000  5.894000
Mo  0   -0.816000  1.546000
Cu  +3  -0.287000  5.894000
Mo  +3  -0.816000  1.546000
Cu  +5  -0.287000  5.894000
Mo  +5  -0.816000  1.546000
#
data_Te
#
_element.symbol                Te
_element.name                  Tellurium
_element.number                52
_element.atomic_weight         127.600000
_element.van_der_walls_radius  2.060000
_element.color_rgb             '#FFFFFF'
#
_scattering_factors.wavelength  CuKa
_scattering_factors.charge      0
_scattering_factors.a1          19.964399
_scattering_factors.a2          19.013800
_scattering_factors.a3          6.144870
_scattering_factors.a4          2.523900
_scattering_factors.b1          4.817420
_scattering_factors.b2          0.420885
_scattering_factors.b3          28.528400
_scattering_factors.b4          70.840302
_scattering_factors.c           4.352000
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0  -0.418000  6.352000
Mo  0  -0.772000  1.675000
#
data_I
#
_element.symbol                I
_element.name                  Iodine
_element.number                53
_element.atomic_weight         126.904470
_element.van_der_walls_radius  1.980000
_element.covalent_radius       1.400
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   20.147200  18.994900  7.513800  2.273500  4.347000  0.381400
27.765999  66.877602  4.071200
CuKa  -1  20.233200  18.997000  7.806900  2.886800  4.357900  0.381500
29.525900  84.930397  4.071400
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -0.579000  6.835000
Mo  0   -0.726000  1.812000
Cu  -1  -0.579000  6.835000
Mo  -1  -0.726000  1.812000
#
data_Xe
#
_element.symbol                Xe
_element.name                  Xenon
_element.number                54
_element.atomic_weight         131.293000
_element.van_der_walls_radius  2.160000
_element.color_rgb             '#FFFFFF'
#
_scattering_factors.wavelength  CuKa
_scattering_factors.charge      0
_scattering_factors.a1          20.293301
_scattering_factors.a2          19.029800
_scattering_factors.a3          8.976700
_scattering_factors.a4          1.990000
_scattering_factors.b1          3.928200
_scattering_factors.b2          0.344000
_scattering_factors.b3          26.465900
_scattering_factors.b4          64.265800
_scattering_factors.c           3.711800
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0  -0.783000  7.348000
Mo  0  -0.684000  1.958000
#
data_Cs
#
_element.symbol                Cs
_element.name                  Caesium
_element.number                55
_element.atomic_weight         132.905450
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   20.389200  19.106199  10.662000  1.495300  3.569000  0.310700
24.387899  213.903992  3.335200
CuKa  +1  20.352400  19.127800  10.282100  0.961500  3.552000  0.308600
23.712799  59.456497   3.279100
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -1.022000  7.904000
Mo  0   -0.644000  2.119000
Cu  +1  -1.022000  7.904000
Mo  +1  -0.644000  2.119000
#
data_Ba
#
_element.symbol                Ba
_element.name                  Barium
_element.number                56
_element.atomic_weight         137.327000
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   20.336100  19.297001  10.888000  2.695900  3.216000  0.275600
20.207300  167.201996  2.773100
CuKa  +2  20.180700  19.113600  10.905399  0.776340  3.213670  0.283310
20.055799  51.745998   3.029020
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -1.334000  8.460000
Mo  0   -0.613000  2.282000
Cu  +2  -1.334000  8.460000
Mo  +2  -0.613000  2.282000
#
data_La
#
_element.symbol                La
_element.name                  Lanthanum
_element.number                57
_element.atomic_weight         138.905500
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   20.577999  19.598999  11.372700  3.287190  2.948170  0.244475
18.772600  133.123993  2.146780
CuKa  +3  20.248899  19.376301  11.632299  0.336048  2.920700  0.250698
17.821100  54.945297   2.408600
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -1.716000  9.035999
Mo  0   -0.588000  2.452000
Cu  +3  -1.716000  9.035999
Mo  +3  -0.588000  2.452000
#
data_Ce
#
_element.symbol                Ce
_element.name                  Cerium
_element.number                58
_element.atomic_weight         140.116000
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   21.167099  19.769501  11.851299  3.330490  2.812190  0.226836
17.608299  127.112999  1.862640
CuKa  +3  20.803600  19.559000  11.936900  0.612376  2.776910  0.231540
16.540800  43.169201   2.090130
CuKa  +4  20.323500  19.818600  12.123300  0.144583  2.659410  0.218850
15.799200  62.235500   1.591800
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -2.170000  9.648000
Mo  0   -0.564000  2.632000
Cu  +3  -2.170000  9.648000
Mo  +3  -0.564000  2.632000
Cu  +4  -2.170000  9.648000
Mo  +4  -0.564000  2.632000
#
data_Pr
#
_element.symbol                Pr
_element.name                  Praseodymium
_element.number                59
_element.atomic_weight         140.907650
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   22.043999  19.669701  12.385600  2.824280  2.773930  0.222087
16.766899  143.643997  2.058300
CuKa  +3  21.372700  19.749100  12.132900  0.975180  2.645200  0.214299
15.323000  36.406502   1.771320
CuKa  +4  20.941299  20.053900  12.466800  0.296689  2.544670  0.202481
14.813700  45.464298   1.242850
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -2.939000  10.535000
Mo  0   -0.530000  2.845000 
Cu  +3  -2.939000  10.535000
Mo  +3  -0.530000  2.845000 
Cu  +4  -2.939000  10.535000
Mo  +4  -0.530000  2.845000 
#
data_Nd
#
_element.symbol                Nd
_element.name                  Neodymium
_element.number                60
_element.atomic_weight         144.240000
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   22.684500  19.684700  12.774000  2.851370  2.662480  0.210628
15.885000  137.903000  1.984860
CuKa  +3  21.961000  19.933899  12.120000  1.510310  2.527220  0.199237
14.178300  30.871700   1.475880
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -3.431000  10.933000
Mo  0   -0.535000  3.018000 
Cu  +3  -3.431000  10.933000
Mo  +3  -0.535000  3.018000 
#
data_Pm
#
_element.symbol                Pm
_element.name                  Promethium
_element.number                61
_element.atomic_weight         145.000000
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   23.340500  19.609501  13.123500  2.875160  2.562700  0.202088
15.100900  132.720993  2.028760
CuKa  +3  22.552700  20.110800  12.067100  2.074920  2.417400  0.185769
13.127500  27.449100   1.194990
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -4.357000  11.614000
Mo  0   -0.530000  3.225000 
Cu  +3  -4.357000  11.614000
Mo  +3  -0.530000  3.225000 
#
data_Sm
#
_element.symbol                Sm
_element.name                  Samarium
_element.number                62
_element.atomic_weight         150.360000
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   24.004200  19.425800  13.439600  2.896040  2.472740  0.196451
14.399600  128.007004  2.209630
CuKa  +3  23.150400  20.259899  11.920200  2.714880  2.316410  0.174081
12.157100  24.824200   0.954586
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -5.696000  12.320000
Mo  0   -0.533000  3.442000 
Cu  +3  -5.696000  12.320000
Mo  +3  -0.533000  3.442000 
#
data_Eu
#
_element.symbol                Eu
_element.name                  Europium
_element.number                63
_element.atomic_weight         151.964000
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   24.627399  19.088600  13.760300  2.922700  2.387900  0.194200
13.754600  123.173996  2.574500
CuKa  +2  24.006300  19.950399  11.803400  3.872430  2.277830  0.173530
11.609600  26.515600   1.363890
CuKa  +3  23.749699  20.374500  11.850900  3.265030  2.222580  0.163940
11.311000  22.996599   0.759344
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -7.718000  11.276000
Mo  0   -0.542000  3.669000 
Cu  +2  -7.718000  11.276000
Mo  +2  -0.542000  3.669000 
Cu  +3  -7.718000  11.276000
Mo  +3  -0.542000  3.669000 
#
data_Gd
#
_element.symbol                Gd
_element.name                  Gadolinium
_element.number                64
_element.atomic_weight         157.250000
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   25.070900  19.079800  13.851800  3.545450  2.253410  0.181951
12.933100  101.397995  2.419600
CuKa  +3  24.346600  20.420799  11.870800  3.714900  2.135530  0.155525
10.578199  21.702900   0.645089
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -9.242000  11.946000
Mo  0   -0.564000  3.904000 
Cu  +3  -9.242000  11.946000
Mo  +3  -0.564000  3.904000 
#
data_Tb
#
_element.symbol                Tb
_element.name                  Terbium
_element.number                65
_element.atomic_weight         158.925340
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   25.897600  18.218500  14.316700  2.953540  2.242560  0.196143
12.664800  115.362000  3.582240
CuKa  +3  24.955900  20.327099  12.247100  3.773000  2.056010  0.149525
10.049900  21.277300   0.691967
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -9.498000  9.242000
Mo  0   -0.591000  4.151000
Cu  +3  -9.498000  9.242000
Mo  +3  -0.591000  4.151000
#
data_Dy
#
_element.symbol                Dy
_element.name                  Dysprosium
_element.number                66
_element.atomic_weight         162.500000
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   26.507000  17.638300  14.559600  2.965770  2.180200  0.202172
12.189899  111.874001  4.297280
CuKa  +3  25.539499  20.286100  11.981200  4.500730  1.980400  0.143384
9.349720   19.580999   0.689690
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -10.423000  9.748000
Mo  0   -0.619000   4.410000
Cu  +3  -10.423000  9.748000
Mo  +3  -0.619000   4.410000
#
data_Ho
#
_element.symbol                Ho
_element.name                  Holmium
_element.number                67
_element.atomic_weight         164.930320
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   26.904900  17.293999  14.558300  3.638370  2.070510  0.197940
11.440700  92.656601  4.567960
CuKa  +3  26.129601  20.099400  11.978800  4.936760  1.910720  0.139358
8.800180   18.590799  0.852795
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -12.255000  3.704000
Mo  0   -0.666000   4.678000
Cu  +3  -12.255000  3.704000
Mo  +3  -0.666000   4.678000
#
data_Er
#
_element.symbol                Er
_element.name                  Erbium
_element.number                68
_element.atomic_weight         167.259000
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   27.656300  16.428499  14.977900  2.982330  2.073560  0.223545
11.360400  105.703003  5.920460
CuKa  +3  26.722000  19.774799  12.150600  5.173790  1.846590  0.137290
8.362249   17.897400   1.176130
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -9.733000  3.937000
Mo  0   -0.723000  4.958000
Cu  +3  -9.733000  3.937000
Mo  +3  -0.723000  4.958000
#
data_Tm
#
_element.symbol                Tm
_element.name                  Thulium
_element.number                69
_element.atomic_weight         168.934210
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   28.181900  15.885099  15.154200  2.987060  2.028590  0.238849
10.997499  102.960999  6.756210
CuKa  +3  27.308300  19.332001  12.333900  5.383480  1.787110  0.136974
7.967780   17.292200   1.639290
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -8.488000  4.181000
Mo  0   -0.795000  5.248000
Cu  +3  -8.488000  4.181000
Mo  +3  -0.795000  5.248000
#
data_Yb
#
_element.symbol                Yb
_element.name                  Ytterbium
_element.number                70
_element.atomic_weight         173.040000
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   28.664101  15.434500  15.308700  2.989630  1.988900  0.257119
10.664700  100.417000  7.566720
CuKa  +2  28.120899  17.681700  13.333500  5.146570  1.785030  0.159970
8.183040   20.389999   3.709830
CuKa  +3  27.891700  18.761400  12.607200  5.476470  1.732720  0.138790
7.644120   16.815300   2.260010
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -7.701000  4.432000
Mo  0   -0.884000  5.548000
Cu  +2  -7.701000  4.432000
Mo  +2  -0.884000  5.548000
Cu  +3  -7.701000  4.432000
Mo  +3  -0.884000  5.548000
#
data_Lu
#
_element.symbol                Lu
_element.name                  Lutetium
_element.number                71
_element.atomic_weight         174.967000
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   28.947599  15.220800  15.100000  3.716010  1.901820  9.985189
0.261033  84.329803  7.976280
CuKa  +3  28.462799  18.121000  12.842899  5.594150  1.682160  0.142292
7.337270  16.353500  2.975730
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -7.133000  4.693000
Mo  0   -0.988000  5.858000
Cu  +3  -7.133000  4.693000
Mo  +3  -0.988000  5.858000
#
data_Hf
#
_element.symbol                Hf
_element.name                  Hafnium
_element.number                72
_element.atomic_weight         178.490000
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   29.143999  15.172600  14.758600  4.300130  1.832620  9.599899
0.275116  72.028999  8.581540
CuKa  +4  28.813099  18.460100  12.728500  5.599270  1.591360  0.128903
6.762320  14.036600  2.396990
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -6.715000  4.977000
Mo  0   -1.118000  6.185000
Cu  +4  -6.715000  4.977000
Mo  +4  -1.118000  6.185000
#
data_Ta
#
_element.symbol                Ta
_element.name                  Tantalum
_element.number                73
_element.atomic_weight         180.947900
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   29.202400  15.229300  14.513500  4.764920  1.773330  9.370460
0.295977  63.364399  9.243540
CuKa  +5  29.158699  18.840700  12.826799  5.386950  1.507110  0.116741
6.315240  12.424400  1.785550
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -6.351000  5.271000
Mo  0   -1.258000  6.523000
Cu  +5  -6.351000  5.271000
Mo  +5  -1.258000  6.523000
#
data_W
#
_element.symbol                W
_element.name                  Tungsten
_element.number                74
_element.atomic_weight         183.840000
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   29.081800  15.430000  14.432700  5.119820  1.720290  9.225900
0.321703  57.056000  9.887500
CuKa  +6  29.493599  19.376301  13.054399  5.064120  1.427550  0.104621
5.936670  11.197200  1.010740
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -6.048000  5.577000
Mo  0   -1.421000  6.872000
Cu  +6  -6.048000  5.577000
Mo  +6  -1.421000  6.872000
#
data_Re
#
_element.symbol                Re
_element.name                  Rhenium
_element.number                75
_element.atomic_weight         186.207000
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
_scattering_factors.wavelength  CuKa
_scattering_factors.charge      0
_scattering_factors.a1          28.762100
_scattering_factors.a2          15.718900
_scattering_factors.a3          14.556400
_scattering_factors.a4          5.441740
_scattering_factors.b1          1.671910
_scattering_factors.b2          9.092270
_scattering_factors.b3          0.350500
_scattering_factors.b4          52.086098
_scattering_factors.c           10.472000
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0  -5.790000  5.891000
Mo  0  -1.598000  7.232000
#
data_Os
#
_element.symbol                Os
_element.name                  Osmium
_element.number                76
_element.atomic_weight         190.230000
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   28.189400  16.154999  14.930500  5.675890  1.629030  8.979480
0.382661  48.164700  11.000500
CuKa  +4  30.418999  15.263700  14.745800  5.067950  1.371130  6.847060
0.165191  18.003000  6.498040 
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -5.581000  6.221000
Mo  0   -1.816000  7.605000
Cu  +4  -5.581000  6.221000
Mo  +4  -1.816000  7.605000
#
data_Ir
#
_element.symbol                Ir
_element.name                  Iridium
_element.number                77
_element.atomic_weight         192.217000
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   27.304899  16.729599  15.611500  5.833770  1.592790  8.865530
0.417916  45.001099  11.472200
CuKa  +3  30.415600  15.862000  13.614500  5.820080  1.343230  7.109090
0.204633  20.325399  8.279030 
CuKa  +4  30.705799  15.551200  14.232600  5.536720  1.309230  6.719830
0.167252  17.491100  6.968240 
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -5.391000  6.566000
Mo  0   -2.066000  7.990000
Cu  +3  -5.391000  6.566000
Mo  +3  -2.066000  7.990000
Cu  +4  -5.391000  6.566000
Mo  +4  -2.066000  7.990000
#
data_Pt
#
_element.symbol                Pt
_element.name                  Platinum
_element.number                78
_element.atomic_weight         195.078000
_element.van_der_walls_radius  1.720000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   27.005899  17.763901  15.713100  5.783700  1.512930  8.811740
0.424593  38.610298  11.688300
CuKa  +2  29.842899  16.722401  13.215300  6.352340  1.329270  7.389790
0.263297  22.942600  9.853290 
CuKa  +4  30.961201  15.982900  13.734800  5.920340  1.248130  6.608340
0.168640  16.939199  7.395340 
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -5.233000  6.925000
Mo  0   -2.352000  8.388000
Cu  +2  -5.233000  6.925000
Mo  +2  -2.352000  8.388000
Cu  +4  -5.233000  6.925000
Mo  +4  -2.352000  8.388000
#
data_Au
#
_element.symbol                Au
_element.name                  Gold
_element.number                79
_element.atomic_weight         196.966550
_element.van_der_walls_radius  1.660000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   16.881901  18.591299  25.558201  5.860000  0.461100  8.621600
1.482600  36.395599  12.065800
CuKa  +1  28.010899  17.820400  14.335899  6.580770  1.353210  7.739500
0.356752  26.404301  11.229900
CuKa  +3  30.688599  16.902901  12.780100  6.523540  1.219900  6.828720
0.212867  18.659000  9.096800 
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -5.096000  7.297000
Mo  0   -2.688000  8.798000
Cu  +1  -5.096000  7.297000
Mo  +1  -2.688000  8.798000
Cu  +3  -5.096000  7.297000
Mo  +3  -2.688000  8.798000
#
data_Hg
#
_element.symbol                Hg
_element.name                  Mercury
_element.number                80
_element.atomic_weight         200.590000
_element.van_der_walls_radius  1.550000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   20.680901  19.041700  21.657499  5.967600  0.545000  8.448400
1.572900  38.324600  12.608900
CuKa  +1  25.085300  18.497299  16.888300  6.482160  1.395070  7.651050
0.443378  28.226200  12.020500
CuKa  +2  29.564100  18.059999  12.837400  6.899120  1.211520  7.056390
0.284738  20.748199  10.626800
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -4.990000  7.686000
Mo  0   -3.084000  9.223000
Cu  +1  -4.990000  7.686000
Mo  +1  -3.084000  9.223000
Cu  +2  -4.990000  7.686000
Mo  +2  -3.084000  9.223000
#
data_Tl
#
_element.symbol                Tl
_element.name                  Thallium
_element.number                81
_element.atomic_weight         204.383300
_element.van_der_walls_radius  1.960000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   27.544600  19.158400  15.538000  5.525930  0.655150  8.707510
1.963470  45.814899  13.174600
CuKa  +1  21.398500  20.472300  18.747799  6.828470  1.471100  0.517394
7.434630  28.848200  12.525800
CuKa  +3  30.869499  18.384100  11.932800  7.005740  1.100800  6.538520
0.219074  17.211399  9.802700 
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -4.883000  8.089000
Mo  0   -3.556000  9.659000
Cu  +1  -4.883000  8.089000
Mo  +1  -3.556000  9.659000
Cu  +3  -4.883000  8.089000
Mo  +3  -3.556000  9.659000
#
data_Pb
#
_element.symbol                Pb
_element.name                  Lead
_element.number                82
_element.atomic_weight         207.200000
_element.van_der_walls_radius  2.020000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   31.061699  13.063700  18.441999  5.969600  0.690200  2.357600
8.618000  47.257900  13.411800
CuKa  +2  21.788601  19.568199  19.140600  7.011070  1.336600  0.488383
6.772700  23.813200  12.473400
CuKa  +4  32.124397  18.800301  12.017500  6.968860  1.005660  6.109260
0.147041  14.714000  8.084280 
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -4.818000  8.505000 
Mo  0   -4.133000  10.102000
Cu  +2  -4.818000  8.505000 
Mo  +2  -4.133000  10.102000
Cu  +4  -4.818000  8.505000 
Mo  +4  -4.133000  10.102000
#
data_Bi
#
_element.symbol                Bi
_element.name                  Bismuth
_element.number                83
_element.atomic_weight         208.980380
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   33.368900  12.951000  16.587700  6.469200  0.704000  2.923800
8.793700  48.009300  13.578199
CuKa  +3  21.805300  19.502600  19.105301  7.102950  1.235600  6.241490
0.469999  20.318501  12.471100
CuKa  +5  33.536400  25.094601  19.249699  6.915550  0.916540  0.390420
5.714140  12.828500  -6.799400
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -4.776000  8.930000 
Mo  0   -4.861000  10.559000
Cu  +3  -4.776000  8.930000 
Mo  +3  -4.861000  10.559000
Cu  +5  -4.776000  8.930000 
Mo  +5  -4.861000  10.559000
#
data_Po
#
_element.symbol                Po
_element.name                  Polonium
_element.number                84
_element.atomic_weight         209.000000
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
_scattering_factors.wavelength  CuKa
_scattering_factors.charge      0
_scattering_factors.a1          34.672600
_scattering_factors.a2          15.473300
_scattering_factors.a3          13.113800
_scattering_factors.a4          7.025880
_scattering_factors.b1          0.700999
_scattering_factors.b2          3.550780
_scattering_factors.b3          9.556419
_scattering_factors.b4          47.004501
_scattering_factors.c           13.677000
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0  -4.756000  9.382999 
Mo  0  -5.924000  11.042000
#
data_At
#
_element.symbol                At
_element.name                  Astatine
_element.number                85
_element.atomic_weight         210.000000
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
_scattering_factors.wavelength  CuKa
_scattering_factors.charge      0
_scattering_factors.a1          35.316299
_scattering_factors.a2          19.021099
_scattering_factors.a3          9.498870
_scattering_factors.a4          7.425180
_scattering_factors.b1          0.685870
_scattering_factors.b2          3.974580
_scattering_factors.b3          11.382400
_scattering_factors.b4          45.471500
_scattering_factors.c           13.710800
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0  -4.772000  9.843000
Mo  0  -7.444000  9.961000
#
data_Rn
#
_element.symbol                Rn
_element.name                  Radon
_element.number                86
_element.atomic_weight         222.000000
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
_scattering_factors.wavelength  CuKa
_scattering_factors.charge      0
_scattering_factors.a1          35.563099
_scattering_factors.a2          21.281601
_scattering_factors.a3          8.003700
_scattering_factors.a4          7.443300
_scattering_factors.b1          0.663100
_scattering_factors.b2          4.069100
_scattering_factors.b3          14.042200
_scattering_factors.b4          44.247299
_scattering_factors.c           13.690500
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0  -4.787000  10.316999
Mo  0  -8.862000  10.403000
#
data_Fr
#
_element.symbol                Fr
_element.name                  Francium
_element.number                87
_element.atomic_weight         223.000000
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
_scattering_factors.wavelength  CuKa
_scattering_factors.charge      0
_scattering_factors.a1          35.929901
_scattering_factors.a2          23.054699
_scattering_factors.a3          12.143900
_scattering_factors.a4          2.112530
_scattering_factors.b1          0.646453
_scattering_factors.b2          4.176190
_scattering_factors.b3          23.105200
_scattering_factors.b4          150.644989
_scattering_factors.c           13.724700
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0  -4.833000  10.802999
Mo  0  -7.912000  7.754000 
#
data_Ra
#
_element.symbol                Ra
_element.name                  Radium
_element.number                88
_element.atomic_weight         226.000000
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   35.763000  22.906399  12.473900  3.210970  0.616341  3.871350
19.988701  142.324997  13.621099
CuKa  +2  35.215000  21.670000  7.913420   7.650780  0.604909  3.576700
12.601000  29.843599   13.543100
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -4.898000  11.296000
Mo  0   -7.620000  8.105000 
Cu  +2  -4.898000  11.296000
Mo  +2  -7.620000  8.105000 
#
data_Ac
#
_element.symbol                Ac
_element.name                  Actinium
_element.number                89
_element.atomic_weight         227.000000
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   35.659698  23.103199  12.597700  4.086550  0.589092  3.651550
18.598999  117.019997  13.526600
CuKa  +3  35.173599  22.111200  8.192160   7.055450  0.579689  3.414370
12.918700  25.944300   13.463699
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -4.994000  11.799000
Mo  0   -7.725000  8.472000 
Cu  +3  -4.994000  11.799000
Mo  +3  -7.725000  8.472000 
#
data_Th
#
_element.symbol                Th
_element.name                  Thorium
_element.number                90
_element.atomic_weight         232.038100
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   35.564499  23.421900  12.747300  4.807030  0.563359  3.462040
17.830900  99.172195  13.431400
CuKa  +4  35.100700  22.441799  9.785540   5.294440  0.555054  3.244980
13.466100  23.953300  13.375999
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -5.091000  12.330000
Mo  0   -8.127000  8.870000 
Cu  +4  -5.091000  12.330000
Mo  +4  -8.127000  8.870000 
#
data_Pa
#
_element.symbol                Pa
_element.name                  Protactinium
_element.number                91
_element.atomic_weight         231.035880
_element.van_der_walls_radius  2.000000
_element.color_rgb             '#FFFFFF'
#
_scattering_factors.wavelength  CuKa
_scattering_factors.charge      0
_scattering_factors.a1          35.884701
_scattering_factors.a2          23.294800
_scattering_factors.a3          14.189100
_scattering_factors.a4          4.172870
_scattering_factors.b1          0.547751
_scattering_factors.b2          3.415190
_scattering_factors.b3          16.923500
_scattering_factors.b4          105.250999
_scattering_factors.c           13.428699
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0  -5.216000  12.868000
Mo  0  -8.960000  9.284000 
#
data_U
#
_element.symbol                U
_element.name                  Uranium
_element.number                92
_element.atomic_weight         238.028910
_element.van_der_walls_radius  1.860000
_element.color_rgb             '#FFFFFF'
#
loop_
_scattering_factors.wavelength
_scattering_factors.charge
_scattering_factors.a1
_scattering_factors.a2
_scattering_factors.a3
_scattering_factors.a4
_scattering_factors.b1
_scattering_factors.b2
_scattering_factors.b3
_scattering_factors.b4
_scattering_factors.c
CuKa  0   36.022800  23.412800  14.949100  4.188000  0.529300  3.325300
16.092699  100.612999  13.396600
CuKa  +3  35.574699  22.525900  12.216499  5.370730  0.520480  3.122930
12.714800  26.339399   13.309200
CuKa  +4  35.371498  22.532600  12.029100  4.798400  0.516598  3.050530
12.572300  23.458200   13.267099
CuKa  +6  34.850899  22.758400  14.009900  1.214570  0.507079  2.890300
13.176700  25.201700   13.166500
#
loop_
_anomalous_scattering_factors.wavelength
_anomalous_scattering_factors.charge
_anomalous_scattering_factors.dF
_anomalous_scattering_factors.d2F
Cu  0   -5.359000   13.409000
Mo  0   -10.673000  9.653999 
Cu  +3  -5.359000   13.409000
Mo  +3  -10.673000  9.653999 
Cu  +4  -5.359000   13.409000
Mo  +4  -10.673000  9.653999 
Cu  +6  -5.359000   13.409000
Mo  +6  -10.673000  9.653999 
#
