N/N | x/a | y/b | z/c | B(j) | Occupancy |
---|---|---|---|---|---|
1 | 0.2716 | 0.0299 | 0.1023 | 0.0700 | Ca=0.7150, Mn=0.1960, Na=0.0450 |
2 | 0.2738 | 0.0375 | 0.0887 | 0.0200 | Mn=0.1440, Ca=0.3580, Na=0.0210 |
3 | 0.2681 | 0.0101 | 0.1407 | 0.0400 | Ca=0.1790 |
4 | 0.2692 | -0.0275 | 0.1807 | 0.0400 | Ca=0.0520, Ca=0.1790, Na=0.0240 |
5 | 0.0055 | 0.1595 | 0.2142 | 0.0100 | Al=0.5570, Si=0.4430 |
6 | 0.0011 | 0.8158 | 0.2320 | 0.0100 | Al=0.4340, Si=0.5660 |
7 | 0.6816 | 0.1076 | 0.3139 | 0.0100 | Al=0.4550, Si=0.5450 |
8 | 0.6766 | 0.8780 | 0.3598 | 0.0100 | Al=0.4650, Si=0.5350 |
9 | 0.0049 | 0.1264 | 0.9785 | 0.0200 | O |
10 | 0.5712 | 0.9898 | 0.2767 | 0.0200 | O |
11 | 0.8094 | 0.0976 | 0.1809 | 0.0300 | O |
12 | 0.8118 | 0.8533 | 0.2435 | 0.0300 | O |
13 | 0.0119 | 0.2857 | 0.2884 | 0.0200 | O |
14 | 0.0073 | 0.6853 | 0.2057 | 0.0200 | O |
15 | 0.1995 | 0.1037 | 0.3765 | 0.0200 | O |
16 | 0.1898 | 0.8646 | 0.4333 | 0.0300 | O |