Phase-D
Yang H, Prewitt C T, Frost D J
American Mineralogist 82 (1997) 651-654
Crystal structure of the dense hydrous magnesium silicate, phase D
_database_code_amcsd 0001904
4.7453 4.7453 4.3450 90 90 120 P-31m
atom     x   y     z  occ Biso B(1,1) B(2,2) B(3,3) B(1,2) B(1,3) B(2,3)
Mg       0   0     0            .0322  .0322  .0099  .0161      0      0
Si     2/3 1/3    .5 .945       .0087  .0087  .0064 .00435      0      0
Mg     2/3 1/3    .5 .055       .0087  .0087  .0064 .00435      0      0
H     .536   0  .091  .37   .9
O    .6327   0 .2716            .0091  .0103  .0120 .00515 -.0002      0