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 = 7.55 GPa _database_code_amcsd 0003747 CELL PARAMETERS: 12.1388 12.1388 12.1388 90.000 90.000 90.000 SPACE GROUP: Ia3d X-RAY WAVELENGTH: 1.541838 Cell Volume: 1788.658 Density (g/cm3): 2.809 MAX. ABS. INTENSITY / VOLUME**2: 8.388333426 RIR: 0.972 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.90 79.02 4.9556 2 1 1 24 20.70 29.22 4.2917 2 2 0 12 27.49 49.42 3.2442 3 2 1 48 29.43 45.35 3.0347 4 0 0 6 33.00 77.64 2.7143 4 2 0 24 34.66 4.57 2.5880 3 3 2 24 36.25 17.36 2.4778 4 2 2 24 37.79 33.22 2.3806 4 3 1 48 40.71 96.06 2.2162 5 2 1 48 42.11 2.26 2.1459 4 4 0 12 46.09 49.10 1.9692 5 3 2 48 46.09 50.90 1.9692 6 1 1 24 47.36 11.84 1.9193 6 2 0 24 51.03 1.12 1.7898 6 3 1 48 52.21 8.14 1.7521 4 4 4 8 53.37 2.12 1.7167 5 4 3 48 54.51 33.66 1.6833 6 4 0 24 55.64 5.28 1.6519 7 2 1 48 55.64 1.73 1.6519 6 3 3 24 55.64 12.29 1.6519 5 5 2 24 56.75 58.80 1.6221 6 4 2 48 60.01 9.17 1.5416 6 5 1 48 61.07 10.27 1.5173 8 0 0 6 62.12 1.73 1.4942 7 4 1 48 63.16 1.30 1.4720 8 2 0 24 65.22 3.94 1.4306 8 2 2 24 66.23 1.56 1.4111 7 4 3 48 69.23 14.38 1.3572 8 4 0 24 71.19 5.71 1.3245 8 4 2 48 72.17 2.52 1.3090 6 5 5 24 72.17 1.82 1.3090 9 2 1 48 73.13 8.35 1.2940 6 6 4 24 74.10 1.93 1.2795 7 5 4 48 74.10 1.73 1.2795 8 5 1 48 76.01 3.16 1.2520 9 3 2 48 76.01 1.73 1.2520 7 6 3 48 76.96 2.30 1.2389 8 4 4 24 77.91 3.57 1.2262 8 5 3 48 77.91 3.26 1.2262 9 4 1 48 79.79 2.01 1.2019 7 7 2 24 83.53 1.06 1.1574 9 5 2 48 83.53 4.97 1.1574 7 6 5 48 86.32 3.42 1.1271 8 6 4 48 86.32 3.77 1.1271 10 4 0 24 87.24 2.61 1.1175 9 6 1 48 88.17 10.98 1.1081 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.