N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.5946 | 0.9258 | 0.1675 | 0.0000 | Ca |
2 | 0.8180 | 0.1820 | 0.1702 | 0.0000 | Fe=0.5200, Mn=0.2700 |
3 | 0.8313 | 0.1687 | 0.1654 | 0.0000 | Fe=0.1800 |
4 | 0.0000 | 0.0000 | -0.1318 | 0.0000 | W=0.5200, Nb=0.3100 |
5 | 0.0000 | 0.0000 | 0.0773 | 0.0000 | Si=0.6000 |
6 | 0.0000 | 0.0000 | 0.1233 | 0.0000 | Si=0.4000 |
7 | 0.2187 | 0.7813 | 0.0153 | 0.0000 | Na=0.5000 |
8 | 0.2385 | 0.7615 | 0.0055 | 0.0000 | Na=0.5000 |
9 | 0.4378 | 0.5622 | -0.6757 | 0.0000 | Na |
10 | 0.0973 | 0.9027 | 0.2149 | 0.0000 | Na=0.6800, K=0.1200, Ca=0.2000 |
11 | 0.5670 | 0.4330 | 0.1173 | 0.0000 | Na=0.1300, Sr=0.8700 |
12 | 0.7361 | 0.2639 | 0.3168 | 0.0000 | Na=0.9800 |
13 | 0.4968 | 0.5032 | 0.0000 | 0.0000 | Na=0.9900 |
14 | 0.2630 | 0.7370 | 0.2502 | 0.0000 | Si |
15 | 0.4033 | 0.5967 | 0.0861 | 0.0000 | Si |
16 | 0.5408 | 0.4592 | 0.2435 | 0.0000 | Si |
17 | 0.1233 | 0.8767 | 0.0923 | 0.0000 | Si |
18 | 0.9449 | 0.6736 | 0.2636 | 0.0000 | Si |
19 | 0.7247 | 0.0620 | 0.0694 | 0.0000 | Si |
20 | 0.3945 | 0.6055 | 0.2482 | 0.0000 | O |
21 | 0.2221 | 0.7779 | 0.2105 | 0.0000 | O |
22 | 0.2350 | 0.7650 | 0.2990 | 0.0000 | O |
23 | 0.2715 | 0.7285 | 0.0923 | 0.0000 | O |
24 | 0.4496 | 0.5504 | 0.1224 | 0.0000 | O |
25 | 0.0913 | 0.9087 | 0.3688 | 0.0000 | O |
26 | 0.6097 | 0.0388 | 0.2734 | 0.0000 | O |
27 | 0.5160 | 0.4840 | 0.1952 | 0.0000 | O |
28 | 0.6055 | 0.3945 | 0.2469 | 0.0000 | O |
29 | 0.7219 | 0.9486 | 0.0599 | 0.0000 | O |
30 | 0.1542 | 0.8458 | 0.1387 | 0.0000 | O |
31 | 0.0591 | 0.9409 | 0.0996 | 0.0000 | O |
32 | 0.2982 | 0.9005 | -0.6257 | 0.0000 | O |
33 | 0.7084 | 0.0765 | 0.1216 | 0.0000 | O |
34 | 0.8408 | 0.1592 | 0.0503 | 0.0000 | O |
35 | 0.7465 | 0.7731 | 0.2936 | 0.0000 | O |
36 | 0.9546 | 0.7006 | 0.2115 | 0.0000 | O |
37 | 0.8189 | 0.1811 | 0.2805 | 0.0000 | O |
38 | 0.7306 | 0.2694 | 0.1695 | 0.0000 | O |
39 | 0.0000 | 0.0000 | 0.0254 | 0.0000 | O=0.7300 |
40 | 0.0000 | 0.0000 | -0.2677 | 0.0000 | (Cl)=0.1230, OH=0.2100 |
41 | -0.0990 | -0.0495 | -0.2642 | 0.0000 | (Cl)=0.0410, OH=0.0700 |
42 | 0.0000 | 0.0000 | -0.3194 | 0.0000 | (Cl)=0.1230, OH=0.2100 |
43 | 0.0000 | 0.0000 | 0.2811 | 0.0000 | (Cl)=0.0670, OH=0.1830 |
44 | 0.0000 | 0.0000 | 0.2477 | 0.0000 | (Cl)=0.0670, OH=0.1830 |
45 | 0.0000 | 0.0000 | 0.1738 | 0.0000 | (Cl)=0.0670, OH=0.1830 |
46 | -0.0370 | 0.0370 | 0.1931 | 0.0000 | (Cl)=0.0220, OH=0.0610 |