N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2822 | 0.2143 | 0.1876 | 0.9600 | Si |
2 | 0.6997 | 0.2182 | 0.1748 | 1.0800 | Si |
3 | 0.7776 | 0.3388 | 0.3891 | 0.8300 | Si |
4 | 0.2001 | 0.3349 | 0.3990 | 1.0100 | Si |
5 | 0.2421 | 0.2241 | 0.0224 | 1.7400 | O |
6 | 0.2476 | 0.2971 | 0.2507 | 1.4100 | O |
7 | 0.4931 | 0.1951 | 0.2050 | 1.4900 | O |
8 | 0.7307 | 0.2232 | 0.0064 | 1.5800 | O |
9 | 0.7429 | 0.3001 | 0.2358 | 1.1100 | O |
10 | 0.9902 | 0.3597 | 0.3992 | 1.4300 | O |
11 | 0.1619 | 0.1517 | 0.2585 | 1.7800 | O |
12 | 0.8240 | 0.1546 | 0.2444 | 1.5800 | O |
13 | 0.6662 | 0.4126 | 0.4075 | 1.3000 | O |
14 | 0.3175 | 0.4083 | 0.4202 | 1.4000 | O |
15 | 0.7506 | 0.4108 | 0.0029 | 1.9300 | H2O |
16 | 0.2450 | 0.4080 | 0.0187 | 2.0300 | H2O |
17 | 0.0296 | 0.0123 | 0.2336 | 2.4600 | H2O |
18 | 0.4714 | 0.0240 | 0.2529 | 2.1800 | H2O |
19 | 0.5000 | 0.5000 | 0.0000 | 2.7300 | Na |
20 | 0.0000 | 0.5000 | 0.0000 | 2.7100 | Na |
21 | 0.7478 | 0.0324 | 0.1285 | 2.7200 | Na |