N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.1070 | -0.1997 | 0.6247 | 1.2100 | Zr |
2 | 0.1052 | -0.1999 | 0.1260 | 1.2900 | Ca |
3 | 0.3769 | -0.0743 | -0.1231 | 1.5700 | Na=0.8000, Ca=0.2000 |
4 | 0.3744 | -0.0708 | 0.3759 | 1.3900 | Na=0.7500, Ca=0.2500 |
5 | 0.1671 | 0.1204 | -0.3479 | 1.0700 | Si |
6 | 0.1702 | 0.1215 | 0.0995 | 1.0400 | Si |
7 | 0.1681 | 0.1468 | -0.1206 | 3.2300 | O |
8 | 0.2658 | 0.2316 | 0.5830 | 1.9000 | O |
9 | 0.2660 | 0.2391 | 0.1652 | 2.2400 | O |
10 | 0.0189 | 0.1499 | 0.5909 | 2.2500 | O |
11 | 0.0171 | 0.1469 | 0.1584 | 2.4900 | O |
12 | 0.2148 | -0.0261 | 0.6158 | 1.4300 | O |
13 | 0.2243 | -0.0173 | 0.1381 | 1.9800 | O |
14 | 0.4894 | 0.1110 | -0.1272 | 2.0800 | F |
15 | 0.4837 | 0.1203 | 0.3745 | 1.7200 | F=0.5500, O=0.4500 |