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
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XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.