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 Pnam _database_code_amcsd 0019159 4.958 5.056 7.140 90 89.87 90 P2_1 atom x y z Mg .747 .499 .249 Si .251 .999 .249 O1 .384 .980 .479 O2 .882 .528 .980 O3 .902 .809 .689 O4 .447 .654 .823 O5 .942 .844 .320 O6 .392 .688 .194 H1 .493 .144 .495 H2 .997 .368 .992 H3 .268 .538 .237 H4 .796 .969 .277 H5 .907 .825 .547 H6 .425 .653 .963