Phase-B-superhydrous
Pacalo R E G, Parise J B
American Mineralogist 77 (1992) 681-684
Crystal structure of superhydrous B, a hydrous magnesium silicate synthesized at
1400 C and 20 GPa
_database_code_amcsd 0001483
CELL PARAMETERS: 5.0894 13.9680 8.6956 90.000 90.000 90.000
SPACE GROUP: Pnnm
X-RAY WAVELENGTH: 1.541838
Cell Volume: 618.159
Density (g/cm3): 3.327
MAX. ABS. INTENSITY / VOLUME**2: 4.486140768
RIR: 0.439
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
11.99 23.22 7.3820 0 1 1 4
12.67 24.55 6.9840 0 2 0 2
20.22 28.77 4.3924 1 0 1 4
20.43 15.70 4.3478 0 0 2 2
21.61 14.25 4.1131 1 2 0 4
25.51 4.21 3.4920 0 4 0 2
25.94 10.47 3.4353 1 3 0 4
27.73 7.12 3.2169 1 1 2 8
29.90 45.65 2.9879 1 2 2 8
31.06 4.44 2.8794 1 4 0 4
31.52 2.76 2.8381 0 1 3 4
32.76 39.46 2.7334 1 4 1 8
32.90 20.04 2.7226 0 4 2 4
33.24 91.71 2.6955 1 3 2 8
33.70 37.68 2.6597 0 5 1 4
35.27 13.42 2.5447 2 0 0 2
35.65 26.87 2.5187 1 0 3 4
36.24 8.21 2.4787 1 1 3 8
36.52 20.55 2.4607 0 3 3 4
36.70 17.05 2.4489 1 5 0 4
37.38 3.38 2.4058 2 1 1 8
37.46 25.97 2.4007 1 4 2 8
37.98 3.65 2.3693 1 2 3 8
39.07 16.70 2.3054 2 2 1 8
40.39 36.04 2.2330 2 3 0 4
40.73 91.14 2.2153 1 3 3 8
41.76 28.74 2.1628 2 3 1 8
42.36 1.72 2.1337 1 5 2 8
43.18 4.98 2.0950 2 2 2 8
43.60 1.59 2.0757 0 2 4 4
44.02 4.03 2.0570 1 6 1 8
44.03 56.36 2.0566 2 4 0 4
44.13 4.09 2.0523 0 6 2 4
44.34 100.00 2.0428 1 4 3 8
45.31 19.06 2.0014 2 4 1 8
45.85 9.23 1.9790 1 1 4 8
47.30 4.39 1.9220 1 2 4 8
48.38 26.59 1.8812 2 5 0 4
48.68 42.70 1.8706 1 5 3 8
49.00 4.90 1.8591 2 4 2 8
49.38 5.21 1.8455 0 4 4 4
49.41 1.61 1.8444 2 2 3 8
49.63 10.04 1.8370 1 3 4 8
51.67 4.27 1.7689 2 3 3 8
52.76 6.49 1.7350 1 4 4 8
53.06 1.65 1.7258 0 1 5 4
53.34 2.79 1.7177 2 6 0 4
53.61 2.15 1.7096 1 6 3 8
54.73 3.06 1.6773 2 4 3 8
55.87 1.02 1.6457 1 0 5 4
56.02 1.42 1.6414 2 1 4 8
56.29 1.32 1.6344 1 1 5 8
57.54 2.86 1.6018 1 2 5 8
57.85 4.98 1.5940 3 3 0 4
58.49 7.06 1.5780 2 5 3 8
58.80 1.71 1.5704 3 1 2 8
58.81 16.63 1.5702 2 7 0 4
58.91 3.56 1.5678 3 3 1 8
59.06 23.90 1.5641 1 7 3 8
59.58 1.26 1.5516 1 3 5 8
59.91 1.22 1.5439 1 8 2 8
60.61 9.11 1.5279 0 9 1 4
61.72 4.26 1.5030 3 4 1 8
62.13 3.20 1.4940 2 4 4 8
62.38 3.05 1.4887 1 4 5 8
62.57 1.52 1.4845 1 9 0 4
62.95 12.98 1.4764 0 5 5 4
63.54 93.91 1.4641 3 0 3 4
63.93 1.58 1.4561 3 1 3 8
64.27 43.88 1.4493 0 0 6 2
64.75 38.07 1.4397 2 8 0 4
64.99 79.13 1.4349 1 8 3 8
66.48 6.61 1.4064 2 2 5 8
67.00 1.99 1.3968 0 10 0 2
68.17 12.95 1.3756 3 5 2 8
68.37 11.69 1.3721 2 3 5 8
68.66 1.00 1.3669 1 2 6 8
68.68 1.34 1.3667 2 8 2 8
70.53 1.30 1.3353 1 3 6 8
70.98 3.74 1.3280 2 4 5 8
71.39 1.97 1.3213 1 9 3 8
73.62 3.74 1.2867 1 10 2 8
74.59 1.24 1.2723 4 0 0 2
74.95 1.52 1.2671 4 1 0 4
75.49 2.40 1.2593 2 0 6 4
75.69 3.48 1.2565 0 11 1 4
75.88 1.28 1.2539 4 1 1 8
76.03 1.38 1.2517 4 2 0 4
76.36 3.44 1.2472 1 5 6 8
76.93 1.83 1.2394 3 6 3 8
76.93 1.14 1.2394 2 2 6 8
77.47 1.44 1.2320 1 11 0 4
77.82 3.04 1.2273 4 3 0 4
78.29 1.43 1.2211 4 0 2 4
78.71 4.01 1.2157 2 3 6 8
78.74 4.01 1.2153 4 3 1 8
79.45 3.01 1.2063 3 5 4 8
80.31 4.76 1.1955 4 4 0 4
81.20 9.47 1.1847 2 4 6 8
81.22 1.36 1.1843 4 4 1 8
82.95 9.32 1.1640 0 12 0 2
83.48 1.73 1.1580 0 9 5 4
83.49 2.15 1.1579 4 5 0 4
83.95 2.22 1.1527 4 4 2 8
84.27 1.04 1.1492 4 2 3 8
84.36 5.27 1.1481 2 5 6 8
84.46 1.69 1.1470 3 4 5 8
85.05 1.85 1.1406 1 4 7 8
86.50 1.38 1.1252 1 12 1 8
88.24 3.65 1.1073 3 9 2 8
89.18 1.25 1.0981 4 0 4 4
89.20 1.24 1.0979 1 12 2 8
================================================================================
XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.