Benitoite
Hejny C, Miletich R, Jasser A, Schouwink P, Crichton W, Kahlenberg V
American Mineralogist 97 (2012) 1749-1763
Second-order P6c2-P31c transition and structural crystallography of
the cyclosilicate benitoite, BaTiSi3O9, at high pressure
Note: P = 5.29 GPa
Locality: San Benito, California, USA
_database_code_amcsd 0019513
CELL PARAMETERS: 11.3177 11.3177 9.6293 90.000 90.000 120.000
SPACE GROUP: P31c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1068.173
Density (g/cm3): 3.856
MAX. ABS. INTENSITY / VOLUME**2: 52.64408504
RIR: 4.446
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
15.66 28.46 5.6589 1 1 0 3
18.43 3.19 4.8147 0 0 2 1
20.55 2.18 4.3214 1 0 2 6
24.27 49.12 3.6670 1 1 2 3
24.27 50.88 3.6670 2 -1 2 3
25.94 1.85 3.4345 2 0 2 6
27.30 16.40 3.2671 3 0 0 6
28.86 11.79 3.0939 3 0 1 6
31.62 28.94 2.8294 2 2 0 3
33.14 82.09 2.7035 3 0 2 6
36.85 2.50 2.4394 2 2 2 3
36.85 2.40 2.4394 4 -2 2 3
37.35 9.53 2.4073 0 0 4 1
38.51 1.27 2.3378 1 0 4 6
40.73 3.65 2.2152 2 -1 4 3
40.73 3.45 2.2152 1 1 4 3
41.81 1.67 2.1607 2 0 4 6
42.25 19.04 2.1388 4 1 0 6
43.34 3.24 2.0880 5 -1 1 6
43.34 3.21 2.0880 4 1 1 6
44.90 1.45 2.0186 3 -1 4 6
44.90 1.49 2.0186 2 1 4 6
46.46 6.64 1.9547 5 -1 2 6
46.46 6.47 1.9547 4 1 2 6
46.88 14.67 1.9380 3 0 4 6
48.25 12.77 1.8863 3 3 0 3
49.73 7.61 1.8335 2 2 4 3
49.73 7.35 1.8335 4 -2 4 3
51.33 1.04 1.7799 5 -1 3 6
51.33 1.05 1.7799 4 1 3 6
52.07 6.97 1.7563 6 -3 2 3
52.07 7.03 1.7563 3 3 2 3
56.32 5.04 1.6336 6 0 0 6
57.65 5.50 1.5989 5 -1 4 6
57.65 5.12 1.5989 4 1 4 6
58.84 1.77 1.5695 5 2 0 6
59.69 1.59 1.5490 7 -2 1 6
59.69 1.58 1.5490 5 2 1 6
59.78 7.00 1.5470 6 0 2 6
59.91 2.39 1.5440 1 1 6 3
59.91 2.46 1.5440 2 -1 6 3
60.72 1.27 1.5252 2 0 6 6
62.21 6.04 1.4922 5 2 2 6
62.21 5.94 1.4922 7 -2 2 6
62.56 3.07 1.4848 6 -3 4 3
62.56 3.08 1.4848 3 3 4 3
64.71 9.28 1.4405 3 0 6 6
66.29 1.59 1.4100 5 2 3 6
66.29 1.58 1.4100 7 -2 3 6
69.22 2.02 1.3573 8 -4 2 3
69.22 2.00 1.3573 4 4 2 3
69.55 7.43 1.3517 6 0 4 6
72.86 2.69 1.2982 7 1 0 6
75.91 1.49 1.2535 7 1 2 6
75.91 1.64 1.2535 8 -1 2 6
77.26 2.10 1.2349 6 3 0 6
78.20 1.08 1.2223 6 -3 6 3
78.20 1.06 1.2223 3 3 6 3
78.40 1.10 1.2197 8 -4 4 3
78.40 1.10 1.2197 4 4 4 3
79.65 1.77 1.2037 0 0 8 1
80.26 1.05 1.1961 -3 -6 2 6
80.26 1.05 1.1961 6 3 2 6
84.66 2.09 1.1448 6 0 6 6
84.86 1.32 1.1427 7 1 4 6
84.86 1.41 1.1427 8 -1 4 6
86.79 1.56 1.1221 7 -2 6 6
86.79 1.67 1.1221 5 2 6 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.