MgSi(OH)6
Wunder B, Jahn S, Koch-Muller M, Speziale S
American Mineralogist 97 (2012) 1043-1048
The 3.65 A phase, MgSi(OH)6: structural insights from
DFT-calculations and T-dependent IR spectroscopy
Note: theoretical structure, LDA from P2_12_12_1
_database_code_amcsd 0019161
4.976 5.023 7.115 90 89.89 90 P2_12_12_1
atom    x    y    z
Mg   .752 .500 .251
Si   .251 .000 .250
O1   .376 .956 .480
O2   .876 .537 .981
O3   .886 .810 .686
O4   .435 .656 .817
O5   .942 .846 .318
O6   .395 .692 .182
H1   .466 .780 .492
H2   .969 .712 .989
H3   .290 .529 .771
H4   .768 .961 .735
H5   .923 .847 .459
H6   .406 .675 .039