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 = 9.42 GPa _database_code_amcsd 0003749 CELL PARAMETERS: 12.0549 12.0549 12.0549 90.000 90.000 90.000 SPACE GROUP: Ia3d X-RAY WAVELENGTH: 1.541838 Cell Volume: 1751.826 Density (g/cm3): 2.868 MAX. ABS. INTENSITY / VOLUME**2: 8.565230177 RIR: 0.972 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 18.02 81.37 4.9214 2 1 1 24 20.84 28.77 4.2621 2 2 0 12 27.69 51.09 3.2218 3 2 1 48 29.64 42.73 3.0137 4 0 0 6 33.24 78.38 2.6956 4 2 0 24 34.91 4.76 2.5701 3 3 2 24 36.52 17.38 2.4607 4 2 2 24 38.06 32.65 2.3642 4 3 1 48 41.01 96.44 2.2009 5 2 1 48 42.42 2.69 2.1310 4 4 0 12 46.43 48.77 1.9556 5 3 2 48 46.43 51.23 1.9556 6 1 1 24 47.71 9.43 1.9060 6 2 0 24 51.41 1.14 1.7774 6 3 1 48 52.60 8.57 1.7400 4 4 4 8 53.77 2.27 1.7048 5 4 3 48 54.92 34.99 1.6717 6 4 0 24 56.06 5.83 1.6405 7 2 1 48 56.06 1.66 1.6405 6 3 3 24 56.06 12.26 1.6405 5 5 2 24 57.18 55.46 1.6109 6 4 2 48 60.47 9.26 1.5310 6 5 1 48 61.54 9.91 1.5069 8 0 0 6 62.60 1.48 1.4839 7 4 1 48 63.65 1.30 1.4619 8 2 0 24 65.73 3.14 1.4207 8 2 2 24 66.75 1.57 1.4014 7 4 3 48 69.78 13.29 1.3478 8 4 0 24 71.76 6.03 1.3153 8 4 2 48 72.75 2.69 1.2999 6 5 5 24 72.75 1.76 1.2999 9 2 1 48 73.73 7.40 1.2851 6 6 4 24 74.70 1.83 1.2707 7 5 4 48 74.70 1.59 1.2707 8 5 1 48 76.64 1.95 1.2434 7 6 3 48 76.64 3.23 1.2434 9 3 2 48 77.60 1.69 1.2303 8 4 4 24 78.56 3.23 1.2177 8 5 3 48 78.56 3.09 1.2177 9 4 1 48 80.46 2.18 1.1936 7 7 2 24 81.41 1.08 1.1821 10 2 0 24 84.25 1.11 1.1494 9 5 2 48 84.25 5.23 1.1494 7 6 5 48 87.07 3.94 1.1193 10 4 0 24 87.07 3.83 1.1193 8 6 4 48 88.00 2.63 1.1097 9 6 1 48 88.94 9.73 1.1005 10 4 2 48 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.