Brucite
Mookherjee M, Stixrude L
American Mineralogist 91 (2006) 127-134
High-pressure proton disorder in brucite
Locality: hypothetical structure calculated with DFT
Sample: P = .3 GPa
Note: cell adjusted to match Figure 2
_database_code_amcsd 0003999
5.5407 5.5407 4.8435 90 90 120 P-3
atom     x     y     z
Mg1      0     0     0
Mg2    1/3   2/3 .0109
O    .3321 .3346 .2200
H    .3165 .3493 .4220