N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.3914 | 0.3014 | 0.2249 | 0.0100 | P |
2 | 0.1010 | 0.4430 | 0.2536 | 0.0100 | P |
3 | 0.2675 | 0.1241 | 0.4759 | 0.0100 | P |
4 | 0.1544 | 0.2067 | 0.2267 | 0.0100 | Fe=0.7900, Mg=0.2100 |
5 | 0.3329 | 0.0431 | 0.2259 | 0.0100 | Fe=0.6400, Mg=0.2700, Al=0.0900 |
6 | 0.0257 | 0.2687 | 0.4551 | 0.0100 | Fe=0.7000, Mn=0.3000 |
7 | 0.2640 | 0.3740 | 0.4935 | 0.0100 | Ca |
8 | 0.0000 | 0.0000 | 0.0000 | 0.0200 | Na |
9 | 0.4989 | 0.2754 | 0.2820 | 0.0100 | O |
10 | 0.4092 | 0.3380 | 0.1008 | 0.0100 | O |
11 | 0.3216 | 0.2027 | 0.2215 | 0.0100 | O |
12 | 0.3358 | 0.3850 | 0.2973 | 0.0100 | O |
13 | 0.1660 | 0.5444 | 0.2551 | 0.0100 | O |
14 | 0.1550 | 0.3625 | 0.1765 | 0.0100 | O |
15 | 0.0938 | 0.4034 | 0.3784 | 0.0100 | O |
16 | -0.0097 | 0.4660 | 0.2013 | 0.0200 | O |
17 | 0.1923 | 0.2033 | 0.4165 | 0.0100 | O |
18 | 0.3527 | 0.1897 | 0.5400 | 0.0100 | O |
19 | 0.2009 | 0.0519 | 0.5539 | 0.0100 | O |
20 | 0.3297 | 0.0509 | 0.3959 | 0.0200 | O |
21 | -0.0276 | 0.1165 | 0.4864 | 0.0200 | O=0.5000 |
22 | 0.0130 | 0.0850 | 0.5490 | 0.0700 | H=0.5000 |
23 | -0.0070 | 0.0740 | 0.4210 | 0.0700 | H=0.5000 |