Skip to main content
. 1997 Nov 11;94(23):12263–12267. doi: 10.1073/pnas.94.23.12263

Table 1.

Raite positional parameters

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.