Benitoite
Zachariasen W H
Zeitschrift fur Kristallographie 74 (1930) 139-146
The crystal structure of benitoite, BaTiSi3O9
Locality: Dallas Gem Mine, San Benito, Ca
_database_code_amcsd 0010497
CELL PARAMETERS: 6.6000 6.6000 9.7400 90.000 90.000 120.000
SPACE GROUP: P-6c2
X-RAY WAVELENGTH: 1.541838
Cell Volume: 367.432
Density (g/cm3): 3.736
MAX. ABS. INTENSITY / VOLUME**2: 56.21136539
RIR: 4.899
RIR based on corundum from Acta Crystallographica A38 (1982) 733-739
2-THETA INTENSITY D-SPACING H K L Multiplicity
15.50 20.12 5.7158 1 0 0 3
18.22 2.13 4.8700 0 0 2 2
24.01 100.00 3.7069 1 0 2 6
27.02 16.20 3.3000 1 1 0 6
28.56 12.05 3.1255 1 1 1 12
31.30 24.18 2.8579 2 0 0 3
32.78 70.21 2.7319 1 1 2 12
36.45 4.22 2.4648 2 0 2 6
36.91 8.84 2.4350 0 0 4 2
40.26 7.37 2.2402 1 0 4 6
41.81 17.26 2.1604 2 1 0 6
42.88 4.55 2.1091 2 1 1 12
45.96 10.60 1.9748 2 1 2 12
46.34 15.64 1.9593 1 1 4 12
47.74 10.59 1.9053 3 0 0 3
49.16 13.87 1.8535 2 0 4 6
50.76 1.99 1.7986 2 1 3 12
51.51 11.24 1.7743 3 0 2 6
55.71 2.66 1.6500 2 2 0 6
56.99 10.91 1.6160 2 1 4 12
58.20 1.59 1.5853 3 1 0 6
59.04 1.55 1.5647 3 1 1 12
59.12 8.20 1.5627 2 2 2 12
59.17 5.89 1.5616 1 0 6 6
61.52 8.68 1.5074 3 1 2 12
61.83 5.45 1.5005 3 0 4 6
63.91 8.50 1.4566 1 1 6 12
65.53 1.91 1.4245 3 1 3 12
68.42 4.23 1.3711 4 0 2 6
68.72 4.76 1.3659 2 2 4 12
70.94 1.86 1.3285 3 1 4 12
72.02 2.24 1.3113 3 2 0 6
72.89 1.93 1.2978 2 1 6 12
75.01 1.58 1.2662 3 2 2 12
76.35 5.52 1.2473 4 1 0 6
77.09 1.08 1.2372 4 1 1 12
77.20 2.36 1.2356 3 0 6 6
77.44 1.95 1.2324 4 0 4 6
78.57 2.03 1.2175 0 0 8 2
78.70 1.51 1.2159 3 2 3 12
79.29 3.49 1.2083 4 1 2 12
83.55 2.63 1.1572 2 2 6 12
83.79 2.84 1.1545 3 2 4 12
85.64 2.87 1.1342 3 1 6 12
86.99 1.80 1.1201 2 0 8 6
87.97 4.07 1.1101 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.