Pyrochroite Parise J B, Theroux B, Li R, Loveday J S, Marshall W G, Klotz S Physics and Chemistry of Minerals 25 (1998) 130-137 Pressure dependence of hydrogen bonding in metal deuteroxides: a neutron powder diffraction study of Mn(OD)2 and beta-Co(OD)2. Sample: P = 0.7 GPa _database_code_amcsd 0008113 CELL PARAMETERS: 3.3050 3.3050 4.6750 90.000 90.000 120.000 SPACE GROUP: P-3m1 X-RAY WAVELENGTH: 1.541838 Cell Volume: 44.224 Density (g/cm3): 3.340 MAX. ABS. INTENSITY / VOLUME**2: 44.68290351 RIR: 4.357 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 18.98 83.46 4.6750 0 0 1 2 31.25 30.05 2.8622 1 0 0 6 36.82 90.68 2.4411 0 1 1 6 36.82 9.32 2.4411 1 0 1 6 38.51 2.82 2.3375 0 0 2 2 50.40 26.63 1.8105 0 1 2 6 50.40 19.75 1.8105 1 0 2 6 55.62 24.49 1.6525 1 1 0 6 59.30 1.92 1.5583 0 0 3 2 59.31 18.74 1.5580 1 1 1 12 65.19 3.68 1.4311 2 0 0 6 68.57 10.33 1.3686 1 0 3 6 68.57 2.97 1.3686 0 1 3 6 68.58 1.88 1.3684 0 2 1 6 68.58 9.50 1.3684 2 0 1 6 69.68 3.51 1.3494 1 1 2 12 78.34 4.07 1.2205 0 2 2 6 78.34 5.35 1.2205 2 0 2 6 82.54 1.67 1.1688 0 0 4 2 85.68 3.67 1.1337 1 1 3 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.