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 = 119.1 GPa
Note: cell adjusted to match Figure 2
_database_code_amcsd 0004001
4.5804 4.5804 4.8435 90 90 120 P-3
atom     x     y     z
Mg1      0     0     0
Mg2    1/3   2/3 .0151
O    .3307 .3375 .2746
H    .2146 .3777 .4811