N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3258 | 0.1628 | 0.1667 | 0.9100 | Zr |
2 | 0.4052 | 0.3308 | 0.3327 | 0.8800 | Ca |
3 | 0.6089 | 0.6042 | 0.0968 | 0.9800 | Si |
4 | 0.1398 | 0.0698 | 0.0794 | 1.0600 | Si |
5 | 0.2691 | 0.3255 | 0.2367 | 0.9100 | Si |
6 | 0.2104 | 0.4206 | 0.0735 | 0.9700 | Si |
7 | 0.5258 | 0.2629 | 0.2496 | 1.0800 | Si |
8 | 0.4601 | 0.5399 | 0.2555 | 1.0700 | Si |
9 | 0.2085 | 0.6043 | 0.2502 | 1.9000 | O |
10 | 0.3969 | 0.2975 | 0.1252 | 2.1000 | O |
11 | 0.6269 | 0.0370 | 0.0446 | 1.5000 | O |
12 | 0.0455 | 0.2994 | 0.2894 | 1.5000 | O |
13 | 0.1069 | 0.3896 | 0.1057 | 2.1000 | O |
14 | 0.5727 | 0.6088 | 0.2261 | 1.6000 | O |
15 | 0.2517 | 0.2254 | 0.2068 | 1.8000 | O |
16 | 0.4428 | 0.2211 | 0.2899 | 2.3000 | O |
17 | 0.1805 | 0.3610 | 0.2200 | 1.6000 | O |
18 | 0.1798 | 0.0898 | 0.1305 | 1.8000 | O |
19 | 0.1786 | 0.3572 | 0.0275 | 1.7000 | O |
20 | 0.6048 | 0.3955 | 0.2523 | 1.5000 | O |
21 | 0.2331 | 0.1166 | 0.0433 | 1.7000 | O |
22 | 0.4830 | 0.5169 | 0.3053 | 1.4000 | O |
23 | 0.0129 | 0.5065 | 0.1150 | 1.5000 | O |
24 | 0.0617 | 0.1233 | 0.0719 | 1.6000 | O |
25 | 0.2741 | 0.5481 | 0.0642 | 3.8000 | O |
26 | 0.4698 | 0.2349 | 0.2012 | 2.0000 | O |
27 | -0.0022 | 0.4990 | -0.0004 | 0.9200 | Fe=0.2000 |
28 | 0.3333 | 0.6667 | 0.0868 | 1.0500 | Si=0.9500 |
29 | 0.3333 | 0.6667 | 0.2961 | 1.3000 | Nb=0.6700, Zr=0.3300 |
30 | 0.1833 | 0.3665 | 0.3303 | 0.9000 | Fe=0.7800 |
31 | 0.4666 | 0.2328 | 0.0483 | 1.0000 | Nb=0.2000, Mn=0.4300, Sr=0.3700 |
32 | 0.1700 | 0.0850 | 0.2960 | 1.2000 | Mn=0.1200 |
33 | 0.2124 | 0.1062 | 0.2841 | 3.3000 | Na=0.8700 |
34 | 0.1052 | 0.2104 | 0.1553 | 2.6000 | Na=0.5300 |
35 | 0.5676 | 0.1353 | 0.1725 | 1.6000 | Na=0.5500 |
36 | 0.1200 | 0.2410 | 0.1478 | 2.8000 | Na=0.1000 |
37 | 0.0787 | 0.1575 | 0.1718 | 2.2000 | Na=0.3700 |
38 | 0.4970 | 0.7780 | 0.1740 | 2.9000 | Na=0.1200 |
39 | 0.4741 | 0.7370 | 0.1870 | 3.6000 | Na=0.7700 |
40 | 0.5570 | 0.1130 | 0.1780 | 1.9000 | Na=0.4500 |
41 | 0.3333 | 0.6667 | 0.1398 | 2.0000 | OH=0.9200 |
42 | 0.6160 | 0.3850 | 0.0940 | 1.6000 | OH=0.3500 |
43 | 0.2685 | 0.5380 | 0.3305 | 1.8000 | OH=0.9600 |
44 | 0.0000 | 0.0000 | 0.2516 | 0.9000 | OH=0.8300, (Cl)=0.1700 |
45 | 0.6667 | 0.3333 | 0.0996 | 4.4000 | (Cl)=0.7500 |