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 = 8.56 GPa
_database_code_amcsd 0003748
CELL PARAMETERS: 12.0926 12.0926 12.0926 90.000 90.000 90.000
SPACE GROUP: Ia3d
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1768.313
Density (g/cm3): 2.841
MAX. ABS. INTENSITY / VOLUME**2: 8.233111615
RIR: 0.943
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
17.97 84.71 4.9368 2 1 1 24
20.78 32.41 4.2754 2 2 0 12
27.60 51.10 3.2319 3 2 1 48
29.55 44.02 3.0231 4 0 0 6
33.13 77.99 2.7040 4 2 0 24
34.80 5.31 2.5782 3 3 2 24
36.40 17.41 2.4684 4 2 2 24
37.94 33.23 2.3716 4 3 1 48
40.87 97.71 2.2078 5 2 1 48
42.28 2.66 2.1377 4 4 0 12
46.28 48.03 1.9617 5 3 2 48
46.28 51.97 1.9617 6 1 1 24
47.56 10.40 1.9120 6 2 0 24
52.42 7.94 1.7454 4 4 4 8
53.59 2.44 1.7102 5 4 3 48
54.74 34.75 1.6769 6 4 0 24
55.87 1.30 1.6456 6 3 3 24
55.87 12.67 1.6456 5 5 2 24
55.87 5.36 1.6456 7 2 1 48
56.99 56.38 1.6159 6 4 2 48
60.26 9.19 1.5358 6 5 1 48
61.33 10.00 1.5116 8 0 0 6
62.39 1.47 1.4885 7 4 1 48
63.43 1.42 1.4664 8 2 0 24
65.50 3.91 1.4251 8 2 2 24
66.52 1.69 1.4057 7 4 3 48
69.53 13.79 1.3520 8 4 0 24
71.51 4.96 1.3194 8 4 2 48
72.49 2.57 1.3040 6 5 5 24
72.49 1.52 1.3040 9 2 1 48
73.46 7.64 1.2891 6 6 4 24
74.43 1.86 1.2747 7 5 4 48
74.43 1.63 1.2747 8 5 1 48
76.35 1.71 1.2473 7 6 3 48
76.35 2.96 1.2473 9 3 2 48
77.31 2.21 1.2342 8 4 4 24
78.26 3.39 1.2215 8 5 3 48
78.26 3.24 1.2215 9 4 1 48
80.16 2.04 1.1973 7 7 2 24
83.92 5.04 1.1530 7 6 5 48
86.73 3.60 1.1228 10 4 0 24
86.73 3.19 1.1228 8 6 4 48
87.66 2.49 1.1132 9 6 1 48
88.59 9.95 1.1039 10 4 2 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.