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 = 5.40 GPa _database_code_amcsd 0003745 CELL PARAMETERS: 12.2441 12.2441 12.2441 90.000 90.000 90.000 SPACE GROUP: Ia3d X-RAY WAVELENGTH: 1.541838 Cell Volume: 1835.611 Density (g/cm3): 2.737 MAX. ABS. INTENSITY / VOLUME**2: 7.999697758 RIR: 0.952 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.74 89.49 4.9986 2 1 1 24 20.52 35.20 4.3289 2 2 0 12 27.25 50.58 3.2724 3 2 1 48 29.17 43.17 3.0610 4 0 0 6 32.71 76.26 2.7379 4 2 0 24 34.35 5.88 2.6105 3 3 2 24 35.93 18.08 2.4993 4 2 2 24 37.45 32.27 2.4013 4 3 1 48 40.35 100.00 2.2355 5 2 1 48 41.73 2.75 2.1645 4 4 0 12 45.68 46.63 1.9863 5 3 2 48 45.68 52.31 1.9863 6 1 1 24 46.93 10.64 1.9360 6 2 0 24 51.73 7.40 1.7673 4 4 4 8 52.87 2.50 1.7316 5 4 3 48 54.00 37.32 1.6980 6 4 0 24 55.12 13.61 1.6662 5 5 2 24 55.12 5.66 1.6662 7 2 1 48 55.12 1.01 1.6662 6 3 3 24 56.22 59.18 1.6362 6 4 2 48 59.44 9.65 1.5550 6 5 1 48 60.49 11.00 1.5305 8 0 0 6 61.53 1.36 1.5071 7 4 1 48 62.56 1.75 1.4848 8 2 0 24 64.59 4.64 1.4430 8 2 2 24 65.59 1.84 1.4233 7 4 3 48 68.55 14.94 1.3689 8 4 0 24 70.49 4.44 1.3359 8 4 2 48 71.45 1.40 1.3203 9 2 1 48 71.45 2.87 1.3203 6 5 5 24 72.40 8.53 1.3052 6 6 4 24 73.36 1.91 1.2906 7 5 4 48 73.36 1.64 1.2906 8 5 1 48 75.24 2.83 1.2629 9 3 2 48 75.24 1.70 1.2629 7 6 3 48 76.18 2.78 1.2497 8 4 4 24 77.11 3.29 1.2368 9 4 1 48 77.11 3.42 1.2368 8 5 3 48 78.97 2.05 1.2123 7 7 2 24 82.65 5.36 1.1674 7 6 5 48 82.65 1.05 1.1674 9 5 2 48 85.39 3.84 1.1368 10 4 0 24 85.39 3.20 1.1368 8 6 4 48 86.31 2.55 1.1272 9 6 1 48 87.22 11.09 1.1177 10 4 2 48 89.94 2.60 1.0908 11 2 1 48 89.94 4.40 1.0908 10 5 1 48 89.94 1.49 1.0908 9 6 3 48 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.