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 = 2.98 GPa
_database_code_amcsd 0003743
CELL PARAMETERS: 12.3783 12.3783 12.3783 90.000 90.000 90.000
SPACE GROUP: Ia3d
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1896.632
Density (g/cm3): 2.649
MAX. ABS. INTENSITY / VOLUME**2: 7.782117812
RIR: 0.956
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
17.55 88.12 5.0534 2 1 1 24
20.29 37.34 4.3764 2 2 0 12
26.95 49.88 3.3082 3 2 1 48
28.85 46.05 3.0946 4 0 0 6
32.34 78.78 2.7679 4 2 0 24
33.97 4.69 2.6391 3 3 2 24
35.53 17.03 2.5267 4 2 2 24
37.03 31.55 2.4276 4 3 1 48
39.89 100.00 2.2600 5 2 1 48
41.26 3.01 2.1882 4 4 0 12
45.15 51.95 2.0080 6 1 1 24
45.15 47.43 2.0080 5 3 2 48
46.39 10.94 1.9572 6 2 0 24
51.12 8.68 1.7867 4 4 4 8
52.26 2.41 1.7506 5 4 3 48
53.37 36.44 1.7166 6 4 0 24
54.47 1.09 1.6845 6 3 3 24
54.47 14.50 1.6845 5 5 2 24
54.47 5.16 1.6845 7 2 1 48
55.56 58.28 1.6541 6 4 2 48
58.73 10.66 1.5720 6 5 1 48
59.77 12.03 1.5473 8 0 0 6
60.79 1.43 1.5237 7 4 1 48
61.80 1.63 1.5011 8 2 0 24
63.80 4.48 1.4588 8 2 2 24
64.79 1.72 1.4389 7 4 3 48
67.70 15.35 1.3839 8 4 0 24
69.61 4.99 1.3506 8 4 2 48
70.56 1.83 1.3348 9 2 1 48
70.56 2.72 1.3348 6 5 5 24
71.50 8.94 1.3195 6 6 4 24
72.43 1.57 1.3048 8 5 1 48
72.43 1.69 1.3048 7 5 4 48
74.29 3.10 1.2767 9 3 2 48
74.29 1.66 1.2767 7 6 3 48
75.21 2.61 1.2634 8 4 4 24
76.13 3.43 1.2504 8 5 3 48
76.13 3.18 1.2504 9 4 1 48
77.95 1.94 1.2256 7 7 2 24
81.57 5.25 1.1802 7 6 5 48
81.57 1.26 1.1802 9 5 2 48
84.25 3.58 1.1493 8 6 4 48
84.25 4.23 1.1493 10 4 0 24
85.15 2.93 1.1395 9 6 1 48
86.04 11.10 1.1300 10 4 2 48
88.71 2.51 1.1027 11 2 1 48
88.71 4.24 1.1027 10 5 1 48
88.71 1.62 1.1027 9 6 3 48
89.60 4.02 1.0941 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.