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 = 0.0001 GPa
Locality: San Benito, California, USA
_database_code_amcsd 0019506
CELL PARAMETERS: 6.6430 6.6430 9.7660 90.000 90.000 120.000
SPACE GROUP: P-6c2
X-RAY WAVELENGTH: 1.541838
Cell Volume: 373.229
Density (g/cm3): 3.678
MAX. ABS. INTENSITY / VOLUME**2: 52.45539891
RIR: 4.643
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
15.40 25.74 5.7530 1 0 0 3
18.17 3.06 4.8830 0 0 2 2
23.90 100.00 3.7228 1 0 2 6
26.84 16.01 3.3215 1 1 0 6
28.38 11.86 3.1446 1 1 1 12
31.09 28.17 2.8765 2 0 0 3
32.60 81.12 2.7464 1 1 2 12
36.25 5.21 2.4784 2 0 2 6
36.81 10.09 2.4415 0 0 4 2
40.12 9.02 2.2475 1 0 4 6
41.53 18.58 2.1744 2 1 0 6
42.60 6.50 2.1225 2 1 1 12
45.67 13.16 1.9864 2 1 2 12
46.14 17.01 1.9672 1 1 4 12
47.41 11.93 1.9177 3 0 0 3
48.93 16.23 1.8614 2 0 4 6
50.47 2.18 1.8082 2 1 3 12
51.18 14.35 1.7850 3 0 2 6
55.32 4.88 1.6608 2 2 0 6
56.69 12.34 1.6238 2 1 4 12
57.78 1.75 1.5956 3 1 0 6
58.62 3.13 1.5747 3 1 1 12
58.72 7.09 1.5723 2 2 2 12
58.97 6.93 1.5662 1 0 6 6
61.10 12.03 1.5167 3 1 2 12
61.49 6.62 1.5081 3 0 4 6
63.67 11.56 1.4616 1 1 6 12
65.10 3.15 1.4327 3 1 3 12
67.94 3.96 1.3797 4 0 2 6
68.31 8.40 1.3732 2 2 4 12
70.51 2.37 1.3357 3 1 4 12
71.48 2.60 1.3198 3 2 0 6
72.55 2.77 1.3030 2 1 6 12
74.47 3.38 1.2741 3 2 2 12
75.77 6.41 1.2554 4 1 0 6
76.51 1.51 1.2452 4 1 1 12
76.81 3.32 1.2409 3 0 6 6
76.94 2.77 1.2392 4 0 4 6
77.20 1.64 1.2357 3 1 5 12
78.14 2.09 1.2231 3 2 3 12
78.32 2.56 1.2207 0 0 8 2
78.70 6.38 1.2159 4 1 2 12
83.09 2.87 1.1625 2 2 6 12
83.21 3.06 1.1610 3 2 4 12
84.57 1.36 1.1458 1 1 8 12
85.15 4.56 1.1394 3 1 6 12
86.63 2.72 1.1237 2 0 8 6
87.34 4.76 1.1165 4 1 4 12
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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.