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 = 4.28 GPa Locality: San Benito, California, USA _database_code_amcsd 0019511 CELL PARAMETERS: 6.5518 6.5518 9.6503 90.000 90.000 120.000 SPACE GROUP: P-6c2 X-RAY WAVELENGTH: 1.541838 Cell Volume: 358.751 Density (g/cm3): 3.827 MAX. ABS. INTENSITY / VOLUME**2: 55.06941463 RIR: 4.686 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.62 26.36 5.6740 1 0 0 3 18.39 3.16 4.8252 0 0 2 2 24.21 100.00 3.6758 1 0 2 6 27.22 16.27 3.2759 1 1 0 6 28.78 11.80 3.1020 1 1 1 12 31.54 26.04 2.8370 2 0 0 3 33.05 80.02 2.7103 1 1 2 12 36.75 5.24 2.4456 2 0 2 6 37.27 9.98 2.4126 0 0 4 2 40.64 8.89 2.2202 1 0 4 6 42.14 19.03 2.1446 2 1 0 6 43.21 6.26 2.0935 2 1 1 12 46.33 12.61 1.9597 2 1 2 12 46.76 16.63 1.9426 1 1 4 12 48.11 11.34 1.8913 3 0 0 3 49.60 16.37 1.8379 2 0 4 6 51.19 2.42 1.7844 2 1 3 12 51.93 13.99 1.7609 3 0 2 6 56.15 4.71 1.6379 2 2 0 6 57.50 11.88 1.6029 2 1 4 12 58.67 1.69 1.5737 3 1 0 6 59.52 2.79 1.5532 3 1 1 12 59.61 6.98 1.5510 2 2 2 12 59.76 6.72 1.5474 1 0 6 6 62.03 11.55 1.4961 3 1 2 12 62.39 6.61 1.4885 3 0 4 6 64.55 11.29 1.4438 1 1 6 12 66.10 3.30 1.4136 3 1 3 12 69.01 3.91 1.3609 4 0 2 6 69.34 8.05 1.3551 2 2 4 12 71.59 2.23 1.3181 3 1 4 12 72.63 2.36 1.3017 3 2 0 6 73.62 2.49 1.2867 2 1 6 12 75.67 3.21 1.2568 3 2 2 12 77.02 6.40 1.2382 4 1 0 6 77.77 1.63 1.2281 4 1 1 12 77.98 3.25 1.2253 3 0 6 6 78.17 2.60 1.2228 4 0 4 6 78.41 1.64 1.2197 3 1 5 12 79.42 2.11 1.2067 3 2 3 12 79.45 2.53 1.2063 0 0 8 2 80.00 6.13 1.1993 4 1 2 12 84.41 2.85 1.1476 2 2 6 12 84.59 3.02 1.1456 3 2 4 12 85.85 1.33 1.1320 1 1 8 12 86.53 4.36 1.1248 3 1 6 12 87.97 2.52 1.1101 2 0 8 6 88.83 4.56 1.1016 4 1 4 12 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.