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 = 0.08 GPa _database_code_amcsd 0003740 CELL PARAMETERS: 12.5670 12.5670 12.5670 90.000 90.000 90.000 SPACE GROUP: Ia3d X-RAY WAVELENGTH: 1.541838 Cell Volume: 1984.700 Density (g/cm3): 2.532 MAX. ABS. INTENSITY / VOLUME**2: 7.887842100 RIR: 1.015 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.28 87.96 5.1305 2 1 1 24 19.98 34.37 4.4431 2 2 0 12 26.54 48.50 3.3587 3 2 1 48 28.41 44.68 3.1418 4 0 0 6 31.85 77.51 2.8101 4 2 0 24 33.44 4.20 2.6793 3 3 2 24 34.98 16.94 2.5652 4 2 2 24 36.46 29.71 2.4646 4 3 1 48 39.27 100.00 2.2944 5 2 1 48 40.61 3.31 2.2216 4 4 0 12 44.44 51.13 2.0386 6 1 1 24 44.44 47.30 2.0386 5 3 2 48 45.66 10.01 1.9870 6 2 0 24 49.17 1.14 1.8529 6 3 1 48 50.30 9.48 1.8139 4 4 4 8 51.41 2.09 1.7772 5 4 3 48 52.51 39.60 1.7427 6 4 0 24 53.59 1.30 1.7102 6 3 3 24 53.59 15.31 1.7102 5 5 2 24 53.59 5.97 1.7102 7 2 1 48 54.65 59.80 1.6793 6 4 2 48 57.77 11.56 1.5960 6 5 1 48 58.78 13.33 1.5709 8 0 0 6 59.78 1.42 1.5469 7 4 1 48 60.78 1.78 1.5240 8 2 0 24 61.76 1.34 1.5020 6 5 3 48 62.74 3.89 1.4810 8 2 2 24 63.70 1.67 1.4609 7 4 3 48 66.55 15.80 1.4050 8 4 0 24 68.42 6.26 1.3712 8 4 2 48 69.35 3.25 1.3551 6 5 5 24 69.35 2.27 1.3551 9 2 1 48 70.26 9.64 1.3396 6 6 4 24 71.18 1.71 1.3247 7 5 4 48 71.18 1.54 1.3247 8 5 1 48 72.99 3.47 1.2962 9 3 2 48 72.99 2.00 1.2962 7 6 3 48 73.89 2.27 1.2826 8 4 4 24 74.79 3.04 1.2695 9 4 1 48 74.79 3.37 1.2695 8 5 3 48 76.57 2.14 1.2443 7 7 2 24 80.09 1.72 1.1982 9 5 2 48 80.09 5.92 1.1982 7 6 5 48 80.09 1.15 1.1982 10 3 1 48 82.71 5.29 1.1668 10 4 0 24 82.71 4.75 1.1668 8 6 4 48 83.58 3.39 1.1569 9 6 1 48 84.44 11.93 1.1472 10 4 2 48 87.04 4.90 1.1196 10 5 1 48 87.04 1.90 1.1196 9 6 3 48 87.04 3.07 1.1196 11 2 1 48 87.90 4.97 1.1108 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.