Packet Size - 12 words
SEQ | Description |
Packet 1 | Contains miscellaneous information. |
+1 | code to indicate lattice type as: |
lattice type P I R F A B C | |
noncentro cell 1 2 3 4 5 6 7 | |
centro cell 8 9 10 11 12 13 14 | |
+2 | centrosymmetric / noncentrosymmetric indicator 0 / 1 |
+3 | total number of symmetry equivalent positions |
+4 | number of distinct rotation matrices and translation vectors exclusive of lattice translations and center (N) |
+5 | number of rotation matrices of identical pattern of zeros |
+6 | cell multiplicity factor to place A and B parts of the structure factor on the scale of International Tables (Vol. 1). |
+7 | number of matrices, M, stored for finding neighbour lattice interactions in CEDAR |
+8 | number of molecules in the cell (see also lrmole:) |
+9 | crystal and Bravais systems |
(tri=1; mon=2; ort=3; tet=4; trg=5; rho=6; hex=7; cub=8) | |
+10 | cell unique axis number (1=a, 2=b, 3=c, 4=none) |
Packet 2 | Rotation matrix and translation vector for 1st equivalent position. |
+1...+12 | r11, r21, r31, r12, r22, r32, r13, r23, r33, t1, t2, t3 |
Packet 3 to N+1 | for the remaining N equivalent positions. The maximum value of N is 24.Matrices involving an inversion centre or non-primitive translations are excluded. |
Packet N+2 to M+1 | additional equivalent positions used by CEDAR. |