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 = 6.65 GPa _database_code_amcsd 0003746 CELL PARAMETERS: 12.1812 12.1812 12.1812 90.000 90.000 90.000 SPACE GROUP: Ia3d X-RAY WAVELENGTH: 1.541838 Cell Volume: 1807.466 Density (g/cm3): 2.780 MAX. ABS. INTENSITY / VOLUME**2: 8.004273320 RIR: 0.938 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.84 84.37 4.9730 2 1 1 24 20.62 31.79 4.3067 2 2 0 12 27.40 51.30 3.2556 3 2 1 48 29.33 44.94 3.0453 4 0 0 6 32.88 78.65 2.7238 4 2 0 24 34.54 4.96 2.5970 3 3 2 24 36.12 17.91 2.4865 4 2 2 24 37.65 33.18 2.3889 4 3 1 48 40.56 98.14 2.2240 5 2 1 48 41.96 2.46 2.1534 4 4 0 12 45.93 48.49 1.9761 5 3 2 48 45.93 51.51 1.9761 6 1 1 24 47.19 11.04 1.9260 6 2 0 24 52.01 7.99 1.7582 4 4 4 8 53.17 2.26 1.7227 5 4 3 48 54.31 34.64 1.6892 6 4 0 24 55.43 12.53 1.6577 5 5 2 24 55.43 5.43 1.6577 7 2 1 48 55.43 1.49 1.6577 6 3 3 24 56.54 57.87 1.6278 6 4 2 48 59.78 9.23 1.5470 6 5 1 48 60.84 10.31 1.5227 8 0 0 6 61.88 1.53 1.4994 7 4 1 48 62.92 1.38 1.4772 8 2 0 24 64.96 3.91 1.4356 8 2 2 24 65.97 1.60 1.4160 7 4 3 48 68.95 14.05 1.3619 8 4 0 24 70.91 5.29 1.3291 8 4 2 48 71.88 2.55 1.3135 6 5 5 24 71.88 1.65 1.3135 9 2 1 48 72.84 8.01 1.2985 6 6 4 24 73.80 1.82 1.2840 7 5 4 48 73.80 1.61 1.2840 8 5 1 48 75.70 1.71 1.2564 7 6 3 48 75.70 2.98 1.2564 9 3 2 48 76.65 2.22 1.2432 8 4 4 24 77.59 3.29 1.2305 8 5 3 48 77.59 3.08 1.2305 9 4 1 48 79.46 1.96 1.2061 7 7 2 24 83.18 4.86 1.1614 7 6 5 48 83.18 1.02 1.1614 9 5 2 48 85.94 3.61 1.1310 10 4 0 24 85.94 3.27 1.1310 8 6 4 48 86.86 2.46 1.1214 9 6 1 48 87.78 10.25 1.1120 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.