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 CELL PARAMETERS: 5.5407 5.5407 4.8435 90.000 90.000 120.000 SPACE GROUP: P-3 X-RAY WAVELENGTH: 1.541838 Cell Volume: 128.771 Density (g/cm3): 2.256 MAX. ABS. INTENSITY / VOLUME**2: 15.89743194 RIR: 2.295 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 18.32 69.59 4.8435 0 0 1 2 32.31 2.96 2.7703 1 1 0 6 37.40 99.14 2.4048 1 1 1 6 50.02 31.17 1.8233 1 1 2 6 50.02 13.59 1.8233 2 -1 2 6 57.63 26.28 1.5995 3 0 0 6 61.01 6.31 1.5188 0 3 1 6 61.01 6.31 1.5188 3 0 1 6 67.10 12.70 1.3949 2 -1 3 6 67.10 1.11 1.3949 1 1 3 6 70.74 8.71 1.3318 4 -2 1 6 79.09 1.68 1.2109 0 0 4 2 79.76 2.39 1.2024 2 2 2 6 79.76 5.19 1.2024 4 -2 2 6 88.03 1.96 1.1095 2 -1 4 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.