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, GGA from P2_12_12_1
_database_code_amcsd 0019162
5.173 5.210 7.371 90 89.88 90 P2_12_12_1
atom    x    y    z
Mg   .753 .508 .251
Si   .253 .008 .249
O1   .366 .967 .479
O2   .866 .539 .980
O3   .891 .810 .692
O4   .442 .669 .810
O5   .951 .849 .312
O6   .403 .707 .187
H1   .457 .803 .489
H2   .963 .699 .985
H3   .306 .546 .774
H4   .775 .951 .731
H5   .935 .852 .445
H6   .412 .693 .053