Portlandite Xu H, Zhao Y, Zhang J, Hickmott D D, Daemen L L Physics and Chemistry of Minerals 34 (2007) 223-232 In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature Sample: P = .07 GPa _database_code_amcsd 0009069 CELL PARAMETERS: 3.5717 3.5700 4.8743 90.000 90.000 120.000 SPACE GROUP: P-3m1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 53.825 Density (g/cm3): 2.285 MAX. ABS. INTENSITY / VOLUME**2: 16.93368114 RIR: 2.413 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 18.20 89.07 4.8743 0 0 1 2 28.86 8.92 3.0932 1 0 0 6 28.87 8.91 3.0924 -1 1 0 6 28.88 8.90 3.0917 0 1 0 6 34.34 94.87 2.6117 1 -1 1 6 34.34 5.13 2.6113 1 0 1 6 34.35 47.38 2.6108 0 1 1 6 36.88 1.25 2.4372 0 0 2 2 47.50 34.36 1.9143 0 1 2 6 47.50 28.67 1.9142 1 0 2 6 51.15 26.64 1.7858 1 1 0 6 51.17 13.29 1.7850 -1 2 0 6 54.74 15.26 1.6768 1 1 1 12 54.77 7.62 1.6761 -1 2 1 12 56.65 2.35 1.6248 0 0 3 2 59.81 3.78 1.5462 2 0 0 6 63.08 14.93 1.4738 2 0 1 6 64.71 2.44 1.4405 1 1 2 12 64.82 2.25 1.4384 0 1 3 6 64.82 14.02 1.4383 1 0 3 6 72.36 5.89 1.3058 0 2 2 6 72.38 7.07 1.3056 2 0 2 6 78.49 2.28 1.2186 0 0 4 2 79.80 4.63 1.2018 1 1 3 12 82.54 1.01 1.1687 2 1 0 12 85.41 3.24 1.1367 1 2 1 12 85.68 2.06 1.1337 1 0 4 6 86.97 4.88 1.1202 0 2 3 6 86.99 1.07 1.1201 2 0 3 6 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.