Hydrogarnet
Lager G A, Armbruster T, Faber J
American Mineralogist 72 (1987) 756-765
Neutron and X-ray diffraction study of hydrogarnet Ca3Al2(O4H4)3
Sample: T = 200 K
_database_code_amcsd 0001105
CELL PARAMETERS: 12.5530 12.5530 12.5530 90.000 90.000 90.000
SPACE GROUP: Ia-3d
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1978.074
Density (g/cm3): 2.540
MAX. ABS. INTENSITY / VOLUME**2: 8.430714673
RIR: 1.081
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
17.30 85.84 5.1247 2 1 1 24
20.01 38.22 4.4382 2 2 0 12
26.57 47.63 3.3549 3 2 1 48
28.44 41.24 3.1383 4 0 0 6
31.88 76.07 2.8069 4 2 0 24
33.48 4.06 2.6763 3 3 2 24
35.02 16.34 2.5624 4 2 2 24
36.50 27.84 2.4618 4 3 1 48
39.31 100.00 2.2919 5 2 1 48
40.66 3.82 2.2191 4 4 0 12
44.49 51.88 2.0364 6 1 1 24
44.49 45.96 2.0364 5 3 2 48
45.71 8.33 1.9848 6 2 0 24
50.36 10.06 1.8119 4 4 4 8
51.48 2.68 1.7753 5 4 3 48
52.57 41.14 1.7408 6 4 0 24
53.65 16.81 1.7082 5 5 2 24
53.65 5.95 1.7082 7 2 1 48
54.72 58.39 1.6775 6 4 2 48
57.84 13.04 1.5942 6 5 1 48
58.85 14.47 1.5691 8 0 0 6
59.86 1.18 1.5452 7 4 1 48
60.85 1.97 1.5223 8 2 0 24
61.84 1.69 1.5004 6 5 3 48
62.81 4.21 1.4794 8 2 2 24
63.78 1.89 1.4593 7 4 3 48
66.64 17.12 1.4035 8 4 0 24
68.51 6.16 1.3696 8 4 2 48
69.43 3.54 1.3536 6 5 5 24
69.43 2.36 1.3536 9 2 1 48
70.35 10.23 1.3382 6 6 4 24
71.27 1.61 1.3232 7 5 4 48
71.27 1.50 1.3232 8 5 1 48
73.09 3.82 1.2947 9 3 2 48
73.09 2.21 1.2947 7 6 3 48
73.99 2.46 1.2812 8 4 4 24
74.88 3.45 1.2680 8 5 3 48
74.88 3.39 1.2680 9 4 1 48
76.67 2.45 1.2429 7 7 2 24
80.20 1.97 1.1969 9 5 2 48
80.20 1.24 1.1969 10 3 1 48
80.20 6.99 1.1969 7 6 5 48
82.82 6.34 1.1655 10 4 0 24
82.82 5.69 1.1655 8 6 4 48
83.69 4.12 1.1556 9 6 1 48
84.56 13.29 1.1459 10 4 2 48
87.16 3.88 1.1183 11 2 1 48
87.16 6.36 1.1183 10 5 1 48
87.16 2.20 1.1183 9 6 3 48
88.02 5.28 1.1095 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.