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 = 5.40 GPa
_database_code_amcsd 0003745
CELL PARAMETERS: 12.2441 12.2441 12.2441 90.000 90.000 90.000
SPACE GROUP: Ia3d
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1835.611
Density (g/cm3): 2.737
MAX. ABS. INTENSITY / VOLUME**2: 7.999697758
RIR: 0.952
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
17.74 89.49 4.9986 2 1 1 24
20.52 35.20 4.3289 2 2 0 12
27.25 50.58 3.2724 3 2 1 48
29.17 43.17 3.0610 4 0 0 6
32.71 76.26 2.7379 4 2 0 24
34.35 5.88 2.6105 3 3 2 24
35.93 18.08 2.4993 4 2 2 24
37.45 32.27 2.4013 4 3 1 48
40.35 100.00 2.2355 5 2 1 48
41.73 2.75 2.1645 4 4 0 12
45.68 46.63 1.9863 5 3 2 48
45.68 52.31 1.9863 6 1 1 24
46.93 10.64 1.9360 6 2 0 24
51.73 7.40 1.7673 4 4 4 8
52.87 2.50 1.7316 5 4 3 48
54.00 37.32 1.6980 6 4 0 24
55.12 13.61 1.6662 5 5 2 24
55.12 5.66 1.6662 7 2 1 48
55.12 1.01 1.6662 6 3 3 24
56.22 59.18 1.6362 6 4 2 48
59.44 9.65 1.5550 6 5 1 48
60.49 11.00 1.5305 8 0 0 6
61.53 1.36 1.5071 7 4 1 48
62.56 1.75 1.4848 8 2 0 24
64.59 4.64 1.4430 8 2 2 24
65.59 1.84 1.4233 7 4 3 48
68.55 14.94 1.3689 8 4 0 24
70.49 4.44 1.3359 8 4 2 48
71.45 1.40 1.3203 9 2 1 48
71.45 2.87 1.3203 6 5 5 24
72.40 8.53 1.3052 6 6 4 24
73.36 1.91 1.2906 7 5 4 48
73.36 1.64 1.2906 8 5 1 48
75.24 2.83 1.2629 9 3 2 48
75.24 1.70 1.2629 7 6 3 48
76.18 2.78 1.2497 8 4 4 24
77.11 3.29 1.2368 9 4 1 48
77.11 3.42 1.2368 8 5 3 48
78.97 2.05 1.2123 7 7 2 24
82.65 5.36 1.1674 7 6 5 48
82.65 1.05 1.1674 9 5 2 48
85.39 3.84 1.1368 10 4 0 24
85.39 3.20 1.1368 8 6 4 48
86.31 2.55 1.1272 9 6 1 48
87.22 11.09 1.1177 10 4 2 48
89.94 2.60 1.0908 11 2 1 48
89.94 4.40 1.0908 10 5 1 48
89.94 1.49 1.0908 9 6 3 48
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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.