SCSD model generated from precomputed using D2h symmetry, available as CLA_s1
Table 1; Model atom positions
x | y | z | at |
2.4275 | -2.4651 | -0.0 | C |
-2.4275 | -2.4651 | -0.0 | C |
-2.4275 | 2.4651 | 0.0 | C |
2.4275 | 2.4651 | 0.0 | C |
1.0646 | -2.939 | -0.0 | C |
-1.0646 | -2.939 | -0.0 | C |
-2.839 | -1.0585 | -0.0 | C |
-4.2374 | -0.7264 | -0.0 | C |
-4.2374 | 0.7264 | -0.0 | C |
-2.839 | 1.0585 | -0.0 | C |
-1.0646 | 2.939 | 0.0 | C |
1.0646 | 2.939 | 0.0 | C |
2.839 | 1.0585 | 0.0 | C |
4.2374 | 0.7264 | 0.0 | C |
4.2374 | -0.7264 | 0.0 | C |
2.839 | -1.0585 | 0.0 | C |
0.0 | 0.0 | 0.0 | MG |
0.0 | -2.1436 | -0.0 | N |
-1.9928 | 0.0 | -0.0 | N |
0.0 | 2.1436 | 0.0 | N |
1.9928 | 0.0 | 0.0 | N |
Figure 2; Model atom positions and symmetry operations
_CLA_A_606, CLA_A_607_, CLA_A_609_, CLA_A_614_, CLA_B_602_, CLA_B_603_, CLA_B_604_, CLA_B_605_, CLA_B_606_, CLA_B_607_, CLA_B_608_, CLA_B_609_, CLA_B_610_, CLA_B_611_, CLA_B_612_, CLA_B_613_, CLA_B_614_, CLA_B_615_, CLA_B_616_, CLA_B_617_, CLA_C_501_, CLA_C_502_, CLA_C_503_, CLA_C_504_, CLA_C_505_, CLA_C_506_, CLA_C_507_, CLA_C_508_, CLA_C_509_, CLA_C_510_, CLA_C_511_, CLA_C_512_, CLA_C_513_, CLA_D_402_, CLA_D_403_, CLA_a_406_, CLA_a_407_, CLA_a_408_, CLA_b_602_, CLA_b_603_, CLA_b_604_, CLA_b_605_, CLA_b_606_, CLA_b_607_, CLA_b_608_, CLA_b_609_, CLA_b_610_, CLA_b_611_, CLA_b_612_, CLA_b_613_, CLA_b_614_, CLA_b_615_, CLA_b_616_, CLA_b_617_, CLA_c_902_, CLA_c_903_, CLA_c_904_, CLA_c_905_, CLA_c_906_, CLA_c_907_, CLA_c_908_, CLA_c_909_, CLA_c_910_, CLA_c_911_, CLA_c_912_, CLA_c_913_, CLA_c_914_, CLA_d_401_, CLA_d_403_, CLA_d_404_