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 = 4.75 GPa
Locality: San Benito, California, USA
_database_code_amcsd 0019512
CELL PARAMETERS: 11.3382 11.3382 9.6584 90.000 90.000 120.000
SPACE GROUP: P31c
X-RAY WAVELENGTH: 1.541838
Cell Volume: 1075.286
Density (g/cm3): 3.830
MAX. ABS. INTENSITY / VOLUME**2: 53.60869783
RIR: 4.557
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
15.63 27.17 5.6691 1 1 0 3
18.37 2.96 4.8292 0 0 2 1
20.49 1.12 4.3335 1 0 2 6
24.21 50.01 3.6762 1 1 2 3
24.21 49.99 3.6762 2 -1 2 3
27.25 16.19 3.2731 3 0 0 6
28.80 12.01 3.0999 3 0 1 6
31.56 27.28 2.8345 2 2 0 3
33.06 80.64 2.7094 3 0 2 6
36.77 2.44 2.4446 4 -2 2 3
36.77 2.49 2.4446 2 2 2 3
37.24 9.62 2.4146 0 0 4 1
40.61 3.88 2.2215 1 1 4 3
40.61 3.97 2.2215 2 -1 4 3
42.17 18.80 2.1427 4 1 0 6
43.25 3.16 2.0919 5 -1 1 6
43.25 3.11 2.0919 4 1 1 6
46.36 6.29 1.9586 4 1 2 6
46.36 6.35 1.9586 5 -1 2 6
46.75 15.54 1.9431 3 0 4 6
48.15 12.00 1.8897 3 3 0 3
49.59 7.75 1.8381 4 -2 4 3
49.59 7.71 1.8381 2 2 4 3
51.21 1.07 1.7838 4 1 3 6
51.21 1.07 1.7838 5 -1 3 6
51.96 6.79 1.7598 6 -3 2 3
51.96 6.76 1.7598 3 3 2 3
56.21 4.67 1.6365 6 0 0 6
57.50 5.43 1.6027 4 1 4 6
57.50 5.57 1.6027 5 -1 4 6
58.72 1.70 1.5723 5 2 0 6
59.57 1.45 1.5519 5 2 1 6
59.57 1.43 1.5519 7 -2 1 6
59.65 7.01 1.5499 6 0 2 6
59.71 2.84 1.5485 1 1 6 3
59.71 2.79 1.5485 2 -1 6 3
62.08 5.72 1.4951 7 -2 2 6
62.08 5.79 1.4951 5 2 2 6
62.40 3.09 1.4881 6 -3 4 3
62.40 3.13 1.4881 3 3 4 3
64.51 9.90 1.4445 3 0 6 6
66.14 1.56 1.4128 5 2 3 6
66.14 1.55 1.4128 7 -2 3 6
69.07 1.96 1.3599 8 -4 2 3
69.07 1.93 1.3599 4 4 2 3
69.37 7.37 1.3547 6 0 4 6
72.70 2.49 1.3006 7 1 0 6
73.60 1.00 1.2870 5 -1 6 6
75.74 1.47 1.2558 7 1 2 6
75.74 1.49 1.2558 8 -1 2 6
77.10 6.08 1.2371 6 3 0 6
77.97 1.26 1.2254 3 3 6 3
77.97 1.29 1.2254 6 -3 6 3
78.21 1.17 1.2223 4 4 4 3
78.21 1.17 1.2223 8 -4 4 3
79.37 2.07 1.2073 0 0 8 1
80.08 2.95 1.1984 6 3 2 6
80.08 2.94 1.1984 9 -3 2 6
84.41 2.35 1.1476 6 0 6 6
84.64 1.43 1.1450 8 -1 4 6
84.64 1.42 1.1450 7 1 4 6
86.53 1.80 1.1248 5 2 6 6
86.53 1.82 1.1248 7 -2 6 6
88.89 2.13 1.1010 9 -3 4 6
88.89 2.11 1.1010 6 3 4 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.