Phase-A
Kagi H, Parise J B, Cho H, Rossman G R, Loveday J S
Physics and Chemistry of Minerals 27 (2000) 225-233
Hydrogen bonding interactions in phase A [Mg7Si2O8(OH)6]
at ambient and high pressure
Sample: P = 3.2 GPa
_database_code_amcsd 0008405
CELL PARAMETERS: 7.7972 7.7972 9.5071 90.000 90.000 120.000
SPACE GROUP: P6_3
X-RAY WAVELENGTH: 1.541838
Cell Volume: 500.560
Density (g/cm3): 3.027
MAX. ABS. INTENSITY / VOLUME**2: 10.87447615
RIR: 1.170
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
13.11 4.07 6.7526 1 0 0 6
16.10 1.80 5.5052 1 0 1 6
18.67 1.55 4.7536 0 0 2 1
22.81 25.71 3.8986 1 1 0 6
22.88 9.21 3.8870 1 0 2 6
24.68 32.26 3.6071 1 1 1 6
28.05 7.60 3.1816 2 0 1 6
29.64 3.65 3.0144 1 1 2 6
31.18 14.12 2.8688 1 0 3 6
32.53 61.81 2.7526 2 0 2 6
35.16 1.69 2.5522 2 1 0 6
36.45 5.93 2.4650 2 1 1 6
36.54 19.04 2.4591 1 1 3 6
37.85 7.46 2.3768 0 0 4 1
40.06 7.33 2.2509 3 0 0 6
40.10 64.28 2.2486 1 2 2 6
40.10 35.72 2.2486 2 1 2 6
44.54 2.28 2.0343 3 0 2 6
44.65 2.22 2.0294 1 1 4 6
45.64 37.09 1.9877 1 2 3 6
45.64 4.37 1.9877 2 1 3 6
46.74 2.00 1.9435 2 0 4 6
47.62 2.52 1.9096 2 2 1 6
49.61 1.28 1.8375 1 3 1 6
49.61 1.86 1.8375 3 1 1 6
49.68 2.60 1.8351 3 0 3 6
52.52 5.89 1.7425 1 3 2 6
52.62 14.62 1.7394 1 2 4 6
52.62 1.58 1.7394 2 1 4 6
53.63 1.33 1.7090 1 1 5 6
54.34 1.63 1.6881 4 0 0 6
55.27 1.48 1.6621 4 0 1 6
55.33 1.14 1.6603 2 2 3 6
55.46 2.16 1.6568 2 0 5 6
56.29 6.05 1.6343 3 0 4 6
57.13 4.26 1.6123 3 1 3 6
57.97 2.00 1.5908 4 0 2 6
58.23 1.15 1.5845 0 0 6 1
59.69 1.07 1.5491 3 2 0 6
59.97 1.90 1.5426 1 0 6 6
60.56 2.98 1.5290 2 3 1 6
60.56 1.55 1.5290 3 2 1 6
60.74 36.58 1.5248 1 2 5 6
62.32 4.25 1.4899 4 0 3 6
63.09 3.21 1.4735 1 4 0 6
63.09 43.65 1.4735 4 1 0 6
63.12 11.31 1.4729 2 3 2 6
65.02 2.99 1.4344 2 0 6 6
66.42 1.09 1.4075 1 4 2 6
69.87 8.23 1.3462 1 2 6 6
69.87 4.07 1.3462 2 1 6 6
70.48 1.29 1.3362 1 4 3 6
70.76 3.00 1.3315 1 0 7 6
73.56 2.03 1.2876 3 3 1 6
73.89 2.38 1.2826 1 1 7 6
75.99 1.46 1.2524 1 4 4 6
75.99 3.29 1.2524 4 1 4 6
76.71 1.60 1.2424 5 0 3 6
77.44 1.28 1.2325 4 2 2 6
77.44 3.52 1.2325 2 4 2 6
79.18 1.06 1.2097 3 1 6 6
79.76 1.54 1.2024 3 3 3 6
80.89 3.02 1.1884 0 0 8 1
81.27 2.60 1.1837 2 4 3 6
81.99 2.36 1.1752 1 5 2 6
81.99 1.50 1.1752 5 1 2 6
83.71 2.30 1.1553 4 0 6 6
86.58 1.74 1.1243 2 4 4 6
88.21 3.48 1.1077 2 3 6 6
89.04 1.97 1.0995 3 1 7 6
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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.