Table 1.
Atom | x | y | z | Ueq |
---|---|---|---|---|
Mn(1) | 0.0 | 0.0 | 0.0 | 0.013(1) |
Mn(2) | 0.5 | 0.40289(8) | 0.5 | 0.017(1) |
Na(1) | 0.5 | 0.2997(2) | 0.0 | 0.019(2) |
Na(2) | 0.5 | 0.0 | 0.0 | 0.040(3) |
Ti* | 0.5 | 0.2039(10) | 0.5 | 0.025(8) |
Si(1) | 0.31210(12) | 0.41406(9) | 0.0569(5) | 0.010(1) |
Si(2) | 0.30524(12) | 0.32828(9) | 0.5497(5) | 0.011(1) |
O(1) | 0.4198(3) | 0.4133(2) | 0.1184(12) | 0.016(2) |
O(2) | 0.0882(3) | 0.1816(3) | 0.4077(13) | 0.021(2) |
O(3) | 0.25 | 0.25 | 0.5 | 0.028(3) |
O(4)† | 0.0678(5) | 0.0 | 0.361(2) | 0.020(3) |
O(5) | 0.2718(4) | 0.5 | 0.006(2) | 0.012(3) |
O(6) | 0.2295(3) | 0.1328(3) | 0.2036(12) | 0.013(2) |
O(7) | 0.2686(3) | 0.3802(3) | 0.2936(12) | 0.014(2) |
O(8)‡ | 0.4018(6) | 0.0 | 0.304(2) | 0.042(4) |
O(9)‡ | 0.0720(5) | 0.3992(4) | 0.271(2) | 0.054(3) |
O(10)‡ | 0.4176(6) | 0.2096(4) | 0.201(2) | 0.062(4) |
*Occupancy O 0.45(4) atoms per unit cell.
OH.
H2O.