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 = 0.80 GPa _database_code_amcsd 0003741 CELL PARAMETERS: 12.5163 12.5163 12.5163 90.000 90.000 90.000 SPACE GROUP: Ia3d X-RAY WAVELENGTH: 1.541838 Cell Volume: 1960.776 Density (g/cm3): 2.563 MAX. ABS. INTENSITY / VOLUME**2: 7.686201918 RIR: 0.977 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.35 89.22 5.1098 2 1 1 24 20.07 36.33 4.4252 2 2 0 12 26.65 49.51 3.3451 3 2 1 48 28.53 45.76 3.1291 4 0 0 6 31.98 78.39 2.7987 4 2 0 24 33.58 4.35 2.6685 3 3 2 24 35.12 17.45 2.5549 4 2 2 24 36.61 30.36 2.4546 4 3 1 48 39.43 100.00 2.2852 5 2 1 48 40.78 3.04 2.2126 4 4 0 12 44.63 51.07 2.0304 6 1 1 24 44.63 47.10 2.0304 5 3 2 48 45.85 10.64 1.9790 6 2 0 24 49.38 1.01 1.8454 6 3 1 48 50.52 8.92 1.8066 4 4 4 8 51.64 2.18 1.7701 5 4 3 48 52.74 37.84 1.7357 6 4 0 24 53.82 5.58 1.7033 7 2 1 48 53.82 1.22 1.7033 6 3 3 24 53.82 14.76 1.7033 5 5 2 24 54.89 59.57 1.6726 6 4 2 48 58.02 11.05 1.5896 6 5 1 48 59.04 12.85 1.5645 8 0 0 6 60.05 1.39 1.5407 7 4 1 48 61.05 1.68 1.5178 8 2 0 24 62.04 1.16 1.4960 6 5 3 48 63.02 4.24 1.4751 8 2 2 24 63.99 1.63 1.4550 7 4 3 48 66.86 15.68 1.3994 8 4 0 24 68.74 5.62 1.3656 8 4 2 48 69.67 2.06 1.3497 9 2 1 48 69.67 2.94 1.3497 6 5 5 24 70.59 9.45 1.3342 6 6 4 24 71.51 1.62 1.3193 7 5 4 48 71.51 1.49 1.3193 8 5 1 48 73.33 3.20 1.2910 9 3 2 48 73.33 1.79 1.2910 7 6 3 48 74.24 2.48 1.2774 8 4 4 24 75.14 3.22 1.2643 8 5 3 48 75.14 2.94 1.2643 9 4 1 48 76.93 1.96 1.2393 7 7 2 24 80.48 1.48 1.1934 9 5 2 48 80.48 5.37 1.1934 7 6 5 48 83.12 4.64 1.1621 10 4 0 24 83.12 4.10 1.1621 8 6 4 48 83.99 3.04 1.1522 9 6 1 48 84.86 11.59 1.1426 10 4 2 48 87.48 1.69 1.1150 9 6 3 48 87.48 4.36 1.1150 10 5 1 48 87.48 2.68 1.1150 11 2 1 48 88.35 4.54 1.1063 8 8 0 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.