delta-AlOOD Furukawa A S, Komatsu K, Vanpeteghem C B, Ohtani E American Mineralogist 93 (2008) 1558-1567 Neutron diffraction study of delta-AlOOD at high pressure and its implication for symmetrization of the hydrogen bond Note: P = 2.0 GPa Locality: synthetic _database_code_amcsd 0004664 CELL PARAMETERS: 4.6969 4.2133 2.8243 90.000 90.000 90.000 SPACE GROUP: P2_1nm X-RAY WAVELENGTH: 1.541838 Cell Volume: 55.891 Density (g/cm3): 3.549 MAX. ABS. INTENSITY / VOLUME**2: 13.11264169 RIR: 1.203 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 21.09 2.25 4.2133 0 1 0 2 28.46 100.00 3.1363 1 1 0 2 37.15 3.74 2.4204 1 0 1 2 38.33 9.84 2.3484 2 0 0 1 38.37 51.64 2.3460 0 1 1 4 43.10 63.02 2.0988 1 1 1 4 44.15 36.99 2.0513 2 1 0 2 47.29 2.51 1.9222 1 2 0 2 54.33 1.40 1.6886 0 2 1 4 55.35 31.92 1.6597 2 1 1 4 58.04 62.43 1.5891 1 2 1 4 58.89 21.87 1.5682 2 2 0 2 63.38 9.85 1.4676 3 1 0 2 66.17 16.92 1.4122 0 0 2 2 68.43 1.30 1.3710 2 2 1 4 68.53 27.70 1.3693 3 0 1 2 69.91 6.12 1.3456 1 3 0 2 72.60 1.21 1.3023 3 1 1 4 73.55 11.98 1.2876 1 1 2 4 75.62 4.53 1.2575 0 3 1 4 78.79 6.93 1.2147 1 3 1 4 79.14 2.69 1.2102 2 0 2 2 79.52 4.39 1.2053 2 3 0 2 83.02 5.69 1.1632 2 1 2 4 85.93 1.27 1.1311 4 1 0 2 88.12 6.38 1.1086 2 3 1 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.