N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | -0.0020 | 0.3804 | 0.2500 | 0.6300 | Mn |
2 | -0.0030 | 0.3725 | 0.1370 | 0.6900 | Mn |
3 | -0.0039 | 0.3658 | 0.3619 | 0.6200 | Mn |
4 | 0.0157 | 0.0976 | 0.0817 | 0.8600 | Mn |
5 | 0.0013 | 0.6494 | 0.4087 | 0.8400 | Mn |
6 | -0.0013 | 0.6567 | 0.1927 | 0.6400 | Mn |
7 | 0.0091 | 0.0910 | 0.3010 | 0.8100 | Mn |
8 | -0.0187 | 0.3722 | 0.0202 | 0.9200 | Mn |
9 | -0.0063 | 0.3578 | 0.4782 | 0.7600 | Mn |
10 | 0.0748 | 0.9681 | 0.1942 | 0.6600 | Si |
11 | -0.0647 | 0.7812 | 0.3016 | 0.7300 | Si |
12 | 0.0847 | 0.9618 | 0.4171 | 0.9400 | Si |
13 | -0.0795 | 0.7773 | 0.0806 | 0.8400 | Si |
14 | 0.7435 | 0.9673 | 0.1949 | 1.1400 | O |
15 | 0.2630 | 0.7724 | 0.3026 | 1.4500 | O |
16 | 0.2082 | 0.8216 | 0.1974 | 0.2900 | O |
17 | 0.7951 | 0.9177 | 0.3030 | 0.9500 | O |
18 | 0.2280 | 0.0414 | 0.1434 | 2.1300 | O |
19 | 0.7860 | 0.7031 | 0.3494 | 0.9500 | O |
20 | 0.2202 | 0.0371 | 0.2338 | 0.6300 | O |
21 | 0.7816 | 0.7189 | 0.2529 | 1.7500 | O |
22 | 0.2656 | 0.8039 | 0.0814 | 2.2800 | O |
23 | 0.7685 | 0.9718 | 0.4207 | 0.8900 | O |
24 | 0.7728 | 0.9228 | 0.0788 | 0.8300 | O |
25 | 0.2412 | 0.8098 | 0.4199 | 1.5500 | O |
26 | 0.7835 | 0.7097 | 0.1274 | 1.2900 | O |
27 | 0.2256 | 0.0367 | 0.3682 | 2.2600 | O |
28 | 0.7949 | 0.7225 | 0.0379 | 0.8400 | O |
29 | 0.2288 | 0.0308 | 0.4674 | 1.0300 | O |
30 | 0.7705 | 0.9730 | 0.5189 | 2.0300 | OH |
31 | 0.7615 | 0.2255 | 0.4704 | 2.7700 | OH |