Katoite Lager G A, Marshall W G, Liu Z, Downs R T American Mineralogist 90 (2005) 639-644 Re-examination of the hydrogarnet structure at high pressure using neutron powder diffraction and infrared spectroscopy Sample: P = 4.05 GPa _database_code_amcsd 0003744 CELL PARAMETERS: 12.3165 12.3165 12.3165 90.000 90.000 90.000 SPACE GROUP: Ia3d X-RAY WAVELENGTH: 1.541838 Cell Volume: 1868.366 Density (g/cm3): 2.689 MAX. ABS. INTENSITY / VOLUME**2: 7.867799254 RIR: 0.953 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.64 87.90 5.0282 2 1 1 24 20.39 34.73 4.3545 2 2 0 12 27.09 50.17 3.2917 3 2 1 48 29.00 45.40 3.0791 4 0 0 6 32.51 78.34 2.7541 4 2 0 24 34.15 5.00 2.6259 3 3 2 24 35.71 17.01 2.5141 4 2 2 24 37.22 32.16 2.4155 4 3 1 48 40.10 100.00 2.2487 5 2 1 48 41.47 2.96 2.1773 4 4 0 12 45.39 47.84 1.9980 5 3 2 48 45.39 52.02 1.9980 6 1 1 24 46.64 10.79 1.9474 6 2 0 24 51.40 8.57 1.7777 4 4 4 8 52.54 2.31 1.7418 5 4 3 48 53.66 36.66 1.7080 6 4 0 24 54.77 13.99 1.6761 5 5 2 24 54.77 5.41 1.6761 7 2 1 48 54.77 1.21 1.6761 6 3 3 24 55.86 57.82 1.6459 6 4 2 48 59.06 10.20 1.5642 6 5 1 48 60.10 11.37 1.5396 8 0 0 6 61.13 1.49 1.5161 7 4 1 48 62.15 1.63 1.4936 8 2 0 24 64.16 4.14 1.4515 8 2 2 24 65.16 1.72 1.4318 7 4 3 48 68.09 14.65 1.3770 8 4 0 24 70.01 5.07 1.3438 8 4 2 48 70.97 1.76 1.3281 9 2 1 48 70.97 2.77 1.3281 6 5 5 24 71.91 8.46 1.3129 6 6 4 24 72.85 1.81 1.2983 7 5 4 48 72.85 1.63 1.2983 8 5 1 48 74.72 3.07 1.2703 9 3 2 48 74.72 1.70 1.2703 7 6 3 48 75.65 2.39 1.2570 8 4 4 24 76.58 3.21 1.2442 9 4 1 48 76.58 3.49 1.2442 8 5 3 48 78.42 1.98 1.2195 7 7 2 24 82.06 1.21 1.1743 9 5 2 48 82.06 5.26 1.1743 7 6 5 48 84.77 4.11 1.1436 10 4 0 24 84.77 3.50 1.1436 8 6 4 48 85.68 2.80 1.1338 9 6 1 48 86.58 10.54 1.1243 10 4 2 48 89.27 2.50 1.0972 11 2 1 48 89.27 1.62 1.0972 9 6 3 48 89.27 4.18 1.0972 10 5 1 48 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.