Simpsonite Ercit T S, Cerny P, Hawthorne F C The Canadian Mineralogist 30 (1992) 663-671 The crystal chemistry of simpsonite _database_code_amcsd 0005281 CELL PARAMETERS: 7.3810 7.3810 4.5160 90.000 90.000 120.000 SPACE GROUP: P3 X-RAY WAVELENGTH: 1.541838 Cell Volume: 213.066 Density (g/cm3): 6.817 MAX. ABS. INTENSITY / VOLUME**2: 120.8341157 RIR: 5.772 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 13.85 42.54 6.3921 1 0 0 3 19.66 57.33 4.5160 0 0 1 1 24.11 59.79 3.6905 1 1 0 3 24.13 34.44 3.6884 0 1 1 3 24.13 33.84 3.6884 1 0 1 3 27.92 29.63 3.1961 2 0 0 3 31.30 51.55 2.8577 1 1 1 3 31.30 48.45 2.8577 2 -1 1 3 34.38 28.73 2.6088 0 2 1 3 34.38 26.86 2.6088 2 0 1 3 37.22 45.16 2.4160 1 2 0 3 37.22 5.33 2.4160 2 1 0 3 39.93 10.90 2.2580 0 0 2 1 42.42 4.44 2.1307 3 0 0 3 42.43 6.14 2.1303 -1 3 1 3 42.43 6.19 2.1303 3 -1 1 3 42.43 43.00 2.1303 1 2 1 3 42.43 5.92 2.1303 2 1 1 3 42.46 3.52 2.1291 0 1 2 3 42.46 3.19 2.1291 1 0 2 3 47.16 3.45 1.9270 0 3 1 3 47.16 3.29 1.9270 3 0 1 3 47.19 11.87 1.9261 1 1 2 3 47.19 8.42 1.9261 2 -1 2 3 49.42 7.72 1.8442 0 2 2 3 49.42 5.75 1.8442 2 0 2 3 51.55 14.99 1.7729 3 1 0 3 51.55 2.40 1.7729 1 3 0 3 55.70 15.97 1.6503 -1 4 1 3 55.70 1.61 1.6503 4 -1 1 3 55.70 16.33 1.6503 3 1 1 3 55.70 1.37 1.6503 1 3 1 3 55.72 1.35 1.6497 -1 3 2 3 55.72 26.93 1.6497 3 -1 2 3 55.72 24.94 1.6497 1 2 2 3 55.72 1.83 1.6497 2 1 2 3 57.69 4.51 1.5980 4 0 0 3 59.67 1.68 1.5497 0 3 2 3 59.67 1.52 1.5497 3 0 2 3 61.56 5.98 1.5065 0 4 1 3 61.56 5.90 1.5065 4 0 1 3 61.61 3.06 1.5053 0 0 3 1 63.43 1.19 1.4665 3 2 0 3 63.43 7.18 1.4665 2 3 0 3 63.49 1.29 1.4653 0 1 3 3 63.49 1.38 1.4653 1 0 3 3 67.10 3.19 1.3949 1 4 0 3 67.10 12.18 1.3949 4 1 0 3 67.11 1.64 1.3948 -2 5 1 3 67.11 8.93 1.3948 5 -2 1 3 67.11 1.55 1.3948 3 2 1 3 67.11 8.11 1.3948 2 3 1 3 67.13 1.10 1.3944 4 -1 2 3 67.13 5.77 1.3944 3 1 2 3 67.13 5.61 1.3944 -1 4 2 3 67.16 5.21 1.3938 1 1 3 3 67.16 5.54 1.3938 2 -1 3 3 68.96 3.89 1.3618 0 2 3 3 68.96 3.81 1.3618 2 0 3 3 70.68 2.16 1.3328 -1 5 1 3 70.68 3.89 1.3328 1 4 1 3 70.68 4.33 1.3328 5 -1 1 3 70.68 2.16 1.3328 4 1 1 3 72.46 2.03 1.3044 4 0 2 3 72.46 2.09 1.3044 0 4 2 3 74.23 1.18 1.2776 -1 3 3 3 74.23 1.81 1.2776 1 2 3 3 74.23 5.52 1.2776 3 -1 3 3 74.23 1.40 1.2776 2 1 3 3 77.63 4.29 1.2299 5 -2 2 3 77.63 3.87 1.2299 2 3 2 3 81.03 2.12 1.1867 -1 5 2 3 81.03 2.07 1.1867 5 -1 2 3 81.03 1.65 1.1867 1 4 2 3 81.03 2.12 1.1867 4 1 2 3 84.42 3.81 1.1475 -1 4 3 3 84.42 3.69 1.1475 3 1 3 3 86.13 2.74 1.1290 0 0 4 1 89.43 1.59 1.0957 0 4 3 3 89.43 1.61 1.0957 4 0 3 3 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.