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 = 300 K, X-ray 2, without H
_database_code_amcsd 0001108
CELL PARAMETERS: 12.5650 12.5650 12.5650 90.000 90.000 90.000
SPACE GROUP: Ia-3d
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1983.752
Density (g/cm3): 2.452
MAX. ABS. INTENSITY / VOLUME**2: 9.606366976
RIR: 1.276
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
17.29 100.00 5.1296 2 1 1 24
19.99 35.54 4.4424 2 2 0 12
26.54 45.42 3.3581 3 2 1 48
28.41 40.14 3.1412 4 0 0 6
31.85 61.82 2.8096 4 2 0 24
33.45 2.98 2.6789 3 3 2 24
34.98 14.58 2.5648 4 2 2 24
36.46 21.55 2.4642 4 3 1 48
39.27 80.85 2.2940 5 2 1 48
40.62 3.27 2.2212 4 4 0 12
44.45 44.79 2.0383 6 1 1 24
44.45 36.74 2.0383 5 3 2 48
45.67 6.20 1.9867 6 2 0 24
49.18 1.09 1.8526 6 3 1 48
50.31 8.77 1.8136 4 4 4 8
51.42 2.02 1.7770 5 4 3 48
52.52 37.27 1.7425 6 4 0 24
53.60 15.05 1.7099 5 5 2 24
53.60 5.48 1.7099 7 2 1 48
54.66 50.00 1.6791 6 4 2 48
57.78 10.65 1.5958 6 5 1 48
58.79 12.53 1.5706 8 0 0 6
60.79 1.53 1.5237 8 2 0 24
61.77 1.56 1.5018 6 5 3 48
62.75 3.40 1.4808 8 2 2 24
63.71 1.63 1.4607 7 4 3 48
66.57 14.15 1.4048 8 4 0 24
68.43 5.56 1.3710 8 4 2 48
69.36 3.07 1.3549 6 5 5 24
69.36 1.83 1.3549 9 2 1 48
70.28 8.63 1.3394 6 6 4 24
71.19 1.18 1.3245 8 5 1 48
71.19 1.37 1.3245 7 5 4 48
73.00 3.42 1.2960 9 3 2 48
73.00 2.08 1.2960 7 6 3 48
73.90 1.97 1.2824 8 4 4 24
74.80 2.85 1.2693 8 5 3 48
74.80 2.63 1.2693 9 4 1 48
76.58 2.17 1.2441 7 7 2 24
80.11 1.66 1.1980 9 5 2 48
80.11 5.82 1.1980 7 6 5 48
80.11 1.05 1.1980 10 3 1 48
82.72 5.17 1.1666 10 4 0 24
82.72 4.88 1.1666 8 6 4 48
83.59 3.38 1.1567 9 6 1 48
84.46 11.08 1.1470 10 4 2 48
87.05 3.26 1.1194 11 2 1 48
87.05 5.31 1.1194 10 5 1 48
87.05 1.80 1.1194 9 6 3 48
87.92 4.48 1.1106 8 8 0 12
================================================================================
XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.