N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3328 | 0.1664 | 0.1668 | 0.0000 | Zr=0.9300, Ti=0.0500, Hf=0.0100, Nb=0.0100 |
2 | 0.9999 | 0.2600 | 0.9998 | 0.0000 | Ca |
3 | 0.5273 | 0.2636 | 0.2510 | 0.0000 | Si |
4 | 0.9946 | 0.6028 | 0.0976 | 0.0000 | Si |
5 | 0.2093 | 0.4186 | 0.0751 | 0.0000 | Si |
6 | 0.0856 | 0.5428 | 0.2578 | 0.0000 | Si |
7 | 0.0582 | 0.3290 | 0.2364 | 0.0000 | Si |
8 | 0.1414 | 0.0707 | 0.0832 | 0.0000 | Si |
9 | 0.4747 | 0.2373 | 0.2005 | 0.0000 | O |
10 | 0.2625 | 0.0284 | 0.2063 | 0.0000 | O |
11 | 0.4019 | 0.2971 | 0.1243 | 0.0000 | O |
12 | 0.6055 | 0.3945 | 0.2540 | 0.0000 | O |
13 | 0.4428 | 0.2214 | 0.2879 | 0.0000 | O |
14 | 0.4121 | 0.0287 | 0.0445 | 0.0000 | O |
15 | 0.1070 | 0.3913 | 0.1064 | 0.0000 | O |
16 | 0.0109 | 0.5055 | 0.1173 | 0.0000 | O |
17 | 0.2737 | 0.5475 | 0.0621 | 0.0000 | O |
18 | 0.1770 | 0.3540 | 0.0290 | 0.0000 | O |
19 | 0.0298 | 0.5149 | 0.3038 | 0.0000 | O |
20 | 0.1766 | 0.3532 | 0.2179 | 0.0000 | O |
21 | 0.0449 | 0.3005 | 0.2886 | 0.0000 | O |
22 | 0.3873 | 0.4361 | 0.2239 | 0.0000 | O |
23 | 0.3931 | 0.6069 | 0.2545 | 0.0000 | O |
24 | 0.0615 | 0.1231 | 0.0771 | 0.0000 | O |
25 | 0.1821 | 0.0910 | 0.1328 | 0.0000 | O |
26 | 0.2336 | 0.1168 | 0.0439 | 0.0000 | O |
27 | 0.4987 | 0.5012 | 0.0003 | 0.0000 | Fe=0.7500, Mn=0.0500, Na=0.1900 |
28 | 0.3333 | 0.6667 | 0.2473 | 0.0000 | Si |
29 | 0.3333 | 0.6667 | 0.0485 | 0.0000 | Si |
30 | 0.1083 | 0.2165 | 0.1542 | 0.0000 | Na |
31 | 0.5812 | 0.4188 | 0.1650 | 0.0000 | Na |
32 | 0.2404 | 0.4808 | -0.0464 | 0.0000 | K=0.5300 |
33 | 0.2328 | 0.1164 | 0.2769 | 0.0000 | Na=0.2350, K=0.2350 |
34 | 0.4614 | 0.2307 | 0.0499 | 0.0000 | Na=0.8900, Sr=0.0400 |
35 | 0.4932 | 0.2466 | 0.0445 | 0.0000 | Sr=0.0600, Ba=0.0100 |
36 | 0.2548 | 0.5096 | 0.1743 | 0.0000 | Na=0.5800 |
37 | 0.4193 | 0.5807 | 0.1638 | 0.0000 | Na=0.4200 |
38 | 0.0000 | 0.0000 | 0.2424 | 0.0000 | (Cl)=0.5400 |
39 | 0.6667 | 0.3333 | 0.1026 | 0.0000 | (Cl)=0.7000 |
40 | 0.0000 | 0.0000 | 0.2194 | 0.0000 | H2O=0.2300, (Cl)=0.2300 |
41 | 0.6667 | 0.3333 | 0.0490 | 0.0000 | H2O=0.1500, (Cl)=0.1500 |
42 | 0.4100 | 0.5900 | 0.0040 | 0.0000 | O=0.0050 |
43 | 0.5820 | 0.4180 | -0.0020 | 0.0000 | O=0.0050 |
44 | 0.3333 | 0.6667 | 0.1400 | 0.0000 | OH=0.2560, O=0.3130 |
45 | 0.3333 | 0.6667 | 0.1967 | 0.0000 | OH=0.2250, O=0.2750 |
46 | 0.3333 | 0.6667 | 0.9950 | 0.0000 | OH=0.1840, O=0.2260 |
47 | 0.3333 | 0.6667 | 0.3300 | 0.0000 | OH=0.2250, O=0.2750 |