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 = 6.14 GPa
Locality: San Benito, California, USA
_database_code_amcsd 0019514
CELL PARAMETERS: 11.2984 11.2984 9.6051 90.000 90.000 120.000
SPACE GROUP: P31c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1061.858
Density (g/cm3): 3.879
MAX. ABS. INTENSITY / VOLUME**2: 51.23520645
RIR: 4.301
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
15.69 29.93 5.6492 1 1 0 3
18.47 2.80 4.8025 0 0 2 1
20.60 3.37 4.3112 1 0 2 6
24.33 49.80 3.6590 1 1 2 3
24.33 50.20 3.6590 2 -1 2 3
26.00 2.81 3.4272 2 0 2 6
27.34 17.14 3.2616 3 0 0 6
28.91 11.90 3.0884 3 0 1 6
30.51 1.20 2.9302 3 -1 2 6
30.51 1.11 2.9302 2 1 2 6
31.68 28.36 2.8246 2 2 0 3
33.20 81.76 2.6982 3 0 2 6
36.92 2.09 2.4347 4 -2 2 3
36.92 2.42 2.4347 2 2 2 3
37.45 8.86 2.4013 0 0 4 1
38.09 1.01 2.3627 4 -1 2 6
38.61 1.78 2.3321 1 0 4 6
40.83 2.81 2.2099 1 1 4 3
40.83 3.16 2.2099 2 -1 4 3
41.43 1.43 2.1797 4 0 2 6
41.91 2.64 2.1556 2 0 4 6
42.33 19.19 2.1352 4 1 0 6
43.41 3.14 2.0843 5 -1 1 6
43.41 3.22 2.0843 4 1 1 6
45.01 2.06 2.0140 3 -1 4 6
45.01 2.15 2.0140 2 1 4 6
46.55 6.05 1.9511 4 1 2 6
46.55 6.31 1.9511 5 -1 2 6
46.99 13.19 1.9337 3 0 4 6
48.33 12.28 1.8831 3 3 0 3
49.84 7.02 1.8295 2 2 4 3
49.84 6.98 1.8295 4 -2 4 3
50.77 1.27 1.7983 3 1 4 6
50.77 1.46 1.7983 4 -1 4 6
52.17 6.79 1.7531 6 -3 2 3
52.17 6.68 1.7531 3 3 2 3
56.42 4.97 1.6308 6 0 0 6
57.78 4.73 1.5956 5 -1 4 6
57.78 4.48 1.5956 4 1 4 6
58.41 1.23 1.5798 1 0 6 6
58.95 1.70 1.5668 5 2 0 6
59.81 1.46 1.5464 7 -2 1 6
59.81 1.39 1.5464 5 2 1 6
59.90 6.67 1.5442 6 0 2 6
60.07 1.93 1.5402 1 1 6 3
60.07 1.81 1.5402 2 -1 6 3
60.89 1.70 1.5215 2 0 6 6
62.34 5.57 1.4895 7 -2 2 6
62.34 5.61 1.4895 5 2 2 6
62.70 2.82 1.4818 6 -3 4 3
62.70 2.77 1.4818 3 3 4 3
63.30 1.07 1.4691 3 -1 6 6
63.30 1.13 1.4691 2 1 6 6
64.88 7.45 1.4371 3 0 6 6
66.43 1.52 1.4073 7 -2 3 6
66.43 1.52 1.4073 5 2 3 6
69.36 1.78 1.3549 8 -4 2 3
69.36 1.81 1.3549 4 4 2 3
69.70 6.48 1.3491 6 0 4 6
73.00 2.41 1.2960 7 1 0 6
76.07 1.44 1.2513 8 -1 2 6
76.07 1.32 1.2513 7 1 2 6
77.42 1.92 1.2328 6 3 0 6
79.90 1.33 1.2006 0 0 8 1
84.88 1.51 1.1424 6 0 6 6
85.06 1.09 1.1405 7 1 4 6
85.06 1.17 1.1405 8 -1 4 6
87.02 1.15 1.1197 5 2 6 6
87.02 1.13 1.1197 7 -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.