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 = 0 GPa
_database_code_amcsd 0008404
CELL PARAMETERS: 7.8563 7.8563 9.5642 90.000 90.000 120.000
SPACE GROUP: P6_3
X-RAY WAVELENGTH: 1.541838
Cell Volume: 511.229
Density (g/cm3): 2.964
MAX. ABS. INTENSITY / VOLUME**2: 10.19733784
RIR: 1.120
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
13.01 4.26 6.8038 1 0 0 6
15.99 1.91 5.5441 1 0 1 6
18.55 1.59 4.7821 0 0 2 1
22.64 26.42 3.9281 1 1 0 6
22.73 9.33 3.9124 1 0 2 6
24.50 33.14 3.6336 1 1 1 6
27.83 7.88 3.2052 2 0 1 6
29.43 3.77 3.0354 1 1 2 6
30.98 14.33 2.8869 1 0 3 6
32.29 62.70 2.7720 2 0 2 6
34.89 1.68 2.5716 2 1 0 6
36.17 5.90 2.4834 2 1 1 6
36.29 19.02 2.4754 1 1 3 6
37.62 7.43 2.3911 0 0 4 1
39.74 7.28 2.2679 3 0 0 6
39.80 64.55 2.2649 1 2 2 6
39.80 35.45 2.2649 2 1 2 6
44.20 2.21 2.0492 3 0 2 6
44.35 2.21 2.0424 1 1 4 6
45.31 36.66 2.0016 1 2 3 6
45.31 4.30 2.0016 2 1 3 6
46.42 1.96 1.9562 2 0 4 6
47.24 2.46 1.9239 2 2 1 6
49.22 1.26 1.8513 1 3 1 6
49.22 1.82 1.8513 3 1 1 6
49.31 2.51 1.8480 3 0 3 6
52.10 5.70 1.7553 1 3 2 6
52.24 14.18 1.7511 1 2 4 6
52.24 1.54 1.7511 2 1 4 6
53.27 1.30 1.7198 1 1 5 6
53.90 1.57 1.7009 4 0 0 6
54.82 1.42 1.6747 4 0 1 6
54.91 1.09 1.6722 2 2 3 6
55.08 2.07 1.6673 2 0 5 6
55.88 5.79 1.6455 3 0 4 6
56.68 4.02 1.6239 3 1 3 6
57.51 1.93 1.6026 4 0 2 6
57.85 1.10 1.5940 0 0 6 1
59.19 1.03 1.5609 3 2 0 6
59.57 1.79 1.5520 1 0 6 6
60.06 2.83 1.5405 2 3 1 6
60.06 1.47 1.5405 3 2 1 6
60.30 34.57 1.5348 1 2 5 6
61.82 3.99 1.5007 4 0 3 6
62.56 3.01 1.4847 1 4 0 6
62.56 41.20 1.4847 4 1 0 6
62.60 10.61 1.4838 2 3 2 6
64.56 2.77 1.4434 2 0 6 6
65.87 1.02 1.4179 1 4 2 6
69.36 7.57 1.3549 1 2 6 6
69.36 3.71 1.3549 2 1 6 6
69.89 1.19 1.3459 1 4 3 6
70.27 2.75 1.3396 1 0 7 6
72.92 1.85 1.2973 3 3 1 6
73.37 2.14 1.2905 1 1 7 6
75.35 1.31 1.2613 1 4 4 6
75.35 2.95 1.2613 4 1 4 6
76.05 1.44 1.2515 5 0 3 6
76.76 3.17 1.2417 2 4 2 6
76.76 1.14 1.2417 4 2 2 6
79.06 1.36 1.2112 3 3 3 6
80.31 2.65 1.1955 0 0 8 1
80.56 2.30 1.1925 2 4 3 6
81.26 2.07 1.1839 1 5 2 6
81.26 1.32 1.1839 5 1 2 6
83.03 2.00 1.1631 4 0 6 6
85.81 1.50 1.1324 2 4 4 6
87.46 2.98 1.1152 2 3 6 6
88.31 1.68 1.1067 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.