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 = 1.72 GPa _database_code_amcsd 0003742 CELL PARAMETERS: 12.4557 12.4557 12.4557 90.000 90.000 90.000 SPACE GROUP: Ia3d X-RAY WAVELENGTH: 1.541838 Cell Volume: 1932.433 Density (g/cm3): 2.600 MAX. ABS. INTENSITY / VOLUME**2: 7.610900702 RIR: 0.953 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 17.44 90.38 5.0850 2 1 1 24 20.16 36.68 4.4038 2 2 0 12 26.78 50.57 3.3289 3 2 1 48 28.67 45.88 3.1139 4 0 0 6 32.14 78.84 2.7852 4 2 0 24 33.75 4.66 2.6556 3 3 2 24 35.30 18.51 2.5425 4 2 2 24 36.79 30.93 2.4428 4 3 1 48 39.63 100.00 2.2741 5 2 1 48 40.99 2.77 2.2019 4 4 0 12 44.86 51.23 2.0206 6 1 1 24 44.86 47.05 2.0206 5 3 2 48 46.09 10.91 1.9694 6 2 0 24 50.78 8.25 1.7978 4 4 4 8 51.91 2.24 1.7615 5 4 3 48 53.02 37.29 1.7273 6 4 0 24 54.11 1.20 1.6950 6 3 3 24 54.11 14.20 1.6950 5 5 2 24 54.11 5.62 1.6950 7 2 1 48 55.18 60.56 1.6645 6 4 2 48 58.33 10.53 1.5819 6 5 1 48 59.36 12.46 1.5570 8 0 0 6 60.37 1.33 1.5332 7 4 1 48 61.38 1.62 1.5105 8 2 0 24 62.37 1.11 1.4887 6 5 3 48 63.36 4.48 1.4679 8 2 2 24 64.34 1.61 1.4479 7 4 3 48 67.23 15.73 1.3926 8 4 0 24 69.12 5.36 1.3590 8 4 2 48 70.06 1.86 1.3431 9 2 1 48 70.06 2.84 1.3431 6 5 5 24 70.99 9.44 1.3278 6 6 4 24 71.91 1.60 1.3129 7 5 4 48 71.91 1.44 1.3129 8 5 1 48 73.75 3.04 1.2847 9 3 2 48 73.75 1.76 1.2847 7 6 3 48 74.66 2.64 1.2713 8 4 4 24 75.57 2.86 1.2582 9 4 1 48 75.57 3.07 1.2582 8 5 3 48 77.38 1.93 1.2333 7 7 2 24 80.95 1.32 1.1876 9 5 2 48 80.95 5.13 1.1876 7 6 5 48 83.61 4.25 1.1565 10 4 0 24 83.61 3.80 1.1565 8 6 4 48 84.49 2.78 1.1466 9 6 1 48 85.38 11.73 1.1370 10 4 2 48 88.01 4.11 1.1096 10 5 1 48 88.01 1.59 1.1096 9 6 3 48 88.01 2.53 1.1096 11 2 1 48 88.89 4.44 1.1009 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.