Crystallographic Information Framework

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Core dictionary version 3.0.14

_atom_type_scat.Cromer_Mann_b1

Name:
_atom_type_scat.Cromer_Mann_b1

Aliases:

_atom_type_scat_Cromer_Mann_b1
_atom_type.scat_Cromer_Mann_b1

Definition:

   
     The set of data items used to define Cromer-Mann coefficients
     for generation of X-ray scattering factors.

    Ref: International Tables for X-ray Crystallography, Vol. IV
         (1974) Table 2.2B
    or   International Tables for Crystallography, Vol. C
         (1991) Tables 6.1.1.4 and 6.1.1.5

Type: Real

Units: none

The following values are associated with the corresponding identifier (_atom_type.symbol):

H  10.5109 D  10.5109 H1-  53.1368 He  9.1037 Li  3.9546 Li1+  4.6237 Be  43.6427 Be2+  .0027 B  23.2185 C  20.8439 N  .0057 O  13.2771 O1-  12.8573 F  10.2825 F1-  5.27756 Ne  8.4042 Na  3.285 Na1+  2.6671 Mg  2.8275 Mg2+  2.1676 Al  3.0387 Al3+  1.93816 Si  2.4386 Si4+  1.64167 P  1.9067 S  1.4679 Cl  .0104 Cl1-  .0066 Ar  0.9072 K  12.7949 K1+  12.6331 Ca  10.4421 Ca2+  -.0074 Sc  9.0213 Sc3+  .29854 Ti  7.8508 Ti2+  7.5243 Ti3+  .22061 Ti4+  .178847 V  6.8657 V2+  6.8818 V3+  6.39535 V5+  .679003 Cr  6.1038 Cr2+  5.66078 Cr3+  5.59463 Mn  5.3409 Mn2+  5.2796 Mn3+  4.91797 Mn4+  4.8485 Fe  4.7611 Fe2+  4.6538 Fe3+  4.6147 Co  4.2791 Co2+  4.1231 Co3+  3.90969 Ni  3.8785 Ni2+  3.6766 Ni3+  3.5477 Cu  3.5828 Cu1+  3.3669 Cu2+  3.37484 Zn  3.2655 Zn2+  2.9946 Ga  3.0669 Ga3+  2.81262 Ge  2.8509 Ge4+  2.53718 As  2.6345 Se  2.4098 Br  2.1723 Br1-  2.2059 Kr  1.9384 Rb  1.7888 Rb1+  1.7139 Sr  1.5564 Sr2+  1.4907 Y  1.4029 Y3+  1.35417 Zr  1.27618 Zr4+  1.2148 Nb  1.18865 Nb3+  .019175 Nb5+  1.12446 Mo  .2772 Mo3+  .014734 Mo5+  .014345 Mo6+  1.03649 Tc  .864132 Ru  .80852 Ru3+  .847329 Ru4+  .844582 Rh  .751536 Rh3+  .764252 Rh4+  .760825 Pd  .698655 Pd2+  .696219 Pd4+  .683839 Ag  .6446 Ag1+  .646179 Ag2+  .645643 Cd  .5946 Cd2+  .597922 In  .5476 In3+  .551522 Sn  5.8303 Sn2+  .5036 Sn4+  5.764 Sb  5.3034 Sb3+  .467196 Sb5+  5.44853 Te  4.81742 I  4.347 I1-  4.3579 Xe  3.9282 Cs  3.569 Cs1+  3.552 Ba  3.216 Ba2+  3.21367 La  2.94817 La3+  2.9207 Ce  2.81219 Ce3+  2.77691 Ce4+  2.65941 Pr  2.77393 Pr3+  2.6452 Pr4+  2.54467 Nd  2.66248 Nd3+  2.52722 Pm  2.5627 Sm  2.47274 Sm3+  2.31641 Eu  2.3879 Eu2+  2.27783 Eu3+  2.22258 Gd  2.25341 Gd3+  2.13553 Tb  2.24256 Tb3+  2.05601 Dy  2.1802 Dy3+  1.9804 Ho  2.07051 Ho3+  1.91072 Er  2.07356 Er3+  1.84659 Tm  2.02859 Tm3+  1.78711 Yb  1.9889 Yb2+  1.78503 Yb3+  1.73272 Lu  1.90182 Lu3+  1.68216 Hf  1.83262 Hf4+  1.59136 Ta  1.77333 Ta5+  1.50711 W  1.72029 W6+  1.42755 Re  1.67191 Os  1.62903 Os4+  1.37113 Ir  1.59279 Ir3+  1.34323 Ir4+  1.30923 Pt  1.51293 Pt2+  1.32927 Pt4+  1.24813 Au  .4611 Au1+  1.35321 Au3+  1.2199 Hg  .545 Hg1+  1.39507 Hg2+  1.21152 Tl  .65515 TL1+  1.4711 Tl3+  1.1008 Pb  .6902 Pb2+  1.3366 Pb4+  1.00566 Bi  .704 Bi3+  1.2356 Bi5+  .91654 Po  .700999 At  .685870 Rn  .6631 Fr  .646453 Ra  .616341 Ra2+  .604909 Ac  .589092 Ac3+  .579689 Th  .563359 Th4+  .555054 Pa  .547751 U  .5293 U3+  .520480 U4+  .516598 U6+  .507079 Np  .511929 Np3+  .502322 Np4+  .498626 Np6+  .489810 Pu  .499384 Pu3+  .484938 Pu4+  .481422 Pu6+  .473204 Am  .483629 Cm  .465154 Bk  .451018 Cf  .437533

Category:
atom_type_scat