Vesuvianite Groat L A, Hawthorne F C, Ercit T S The Canadian Mineralogist 30 (1992) 1065-1075 The role of fluorine in vesuvianite: A crystal-structure study Sample: V27 _database_code_amcsd 0005283 CELL PARAMETERS: 15.5580 15.5580 11.8050 90.000 90.000 90.000 SPACE GROUP: P4/nnc X-RAY WAVELENGTH: 1.541838 Cell Volume: 2857.416 Density (g/cm3): 3.590 MAX. ABS. INTENSITY / VOLUME**2: 8.340377117 RIR: 0.756 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.04 12.70 11.0012 1 1 0 4 9.40 9.98 9.4042 1 0 1 8 11.37 20.31 7.7790 2 0 0 4 14.78 5.52 5.9941 2 1 1 16 15.01 17.45 5.9025 0 0 2 2 16.11 3.70 5.5006 2 2 0 4 17.05 6.17 5.2012 1 1 2 8 18.03 18.21 4.9199 3 1 0 8 18.87 3.19 4.7021 2 0 2 8 19.72 2.59 4.5010 2 1 2 16 21.93 5.26 4.0528 3 2 1 16 22.09 22.80 4.0241 2 2 2 8 23.32 1.85 3.8149 1 0 3 8 23.54 5.14 3.7792 3 1 2 16 25.57 1.46 3.4834 3 2 2 16 25.61 32.62 3.4789 4 2 0 8 26.01 3.42 3.4252 2 1 3 16 27.46 16.39 3.2478 4 0 2 8 28.47 1.63 3.1347 3 0 3 8 29.06 4.98 3.0730 3 1 3 16 29.27 1.64 3.0512 5 1 0 8 29.69 12.13 3.0088 4 3 1 16 29.81 3.41 2.9970 4 2 2 16 30.28 59.83 2.9513 0 0 4 2 30.75 11.72 2.9075 3 2 3 16 31.38 6.22 2.8505 1 1 4 8 31.89 1.02 2.8062 5 2 1 16 32.53 100.00 2.7525 4 3 2 16 32.56 47.17 2.7503 4 4 0 4 34.41 2.07 2.6064 4 2 3 16 34.49 31.15 2.6006 2 2 4 8 34.57 65.15 2.5949 5 2 2 16 34.59 1.90 2.5930 6 0 0 4 35.47 9.27 2.5308 3 1 4 16 35.93 1.02 2.4997 6 1 1 16 36.53 71.50 2.4599 6 2 0 8 36.83 13.94 2.4407 5 0 3 8 36.83 1.39 2.4407 4 3 3 16 36.90 2.13 2.4360 3 2 4 16 37.29 1.20 2.4112 5 1 3 16 37.80 1.25 2.3799 5 4 1 16 37.90 7.25 2.3740 6 0 2 8 38.28 7.79 2.3511 4 0 4 8 38.35 3.84 2.3469 6 1 2 16 38.57 4.65 2.3343 1 0 5 8 38.66 7.43 2.3288 5 2 3 16 38.73 6.90 2.3247 4 1 4 16 39.18 6.78 2.2991 3 3 4 8 39.60 2.84 2.2757 6 3 1 16 40.06 2.55 2.2505 4 2 4 16 40.34 5.19 2.2358 2 1 5 16 40.86 4.69 2.2084 5 3 3 16 41.02 15.47 2.2002 7 1 0 8 41.34 5.48 2.1842 7 0 1 8 41.76 5.44 2.1630 7 1 1 16 42.05 1.38 2.1488 3 0 5 8 42.14 4.55 2.1445 6 1 3 16 42.20 2.31 2.1413 4 3 4 16 42.47 13.91 2.1286 3 1 5 16 42.60 10.33 2.1224 6 4 1 16 43.01 1.63 2.1029 7 2 1 16 43.38 7.43 2.0859 6 2 3 16 43.79 1.28 2.0674 5 4 3 16 43.85 1.24 2.0645 5 2 4 16 43.92 5.84 2.0617 7 1 2 16 44.34 16.43 2.0429 7 3 0 8 44.72 3.52 2.0264 6 4 2 16 45.04 5.87 2.0129 7 3 1 16 45.39 6.46 1.9980 6 3 3 16 45.85 1.77 1.9792 5 3 4 16 46.22 8.24 1.9642 6 5 1 16 47.01 1.66 1.9329 6 1 4 16 47.07 3.74 1.9305 7 3 2 16 47.34 4.57 1.9204 7 1 3 16 47.68 4.69 1.9074 2 0 6 8 47.76 1.15 1.9045 8 1 1 16 47.76 1.31 1.9045 7 4 1 16 48.06 2.54 1.8933 2 1 6 16 48.16 3.48 1.8896 6 2 4 16 48.22 1.01 1.8874 6 5 2 16 48.24 10.32 1.8867 8 2 0 8 48.39 3.33 1.8808 5 0 5 8 48.39 1.11 1.8808 4 3 5 16 48.47 1.22 1.8780 7 2 3 16 48.77 2.93 1.8673 5 1 5 16 49.92 1.04 1.8268 3 1 6 16 50.46 2.50 1.8086 7 5 0 8 50.81 1.08 1.7971 8 2 2 16 51.83 14.81 1.7640 7 1 4 16 51.83 1.68 1.7640 5 5 4 8 52.24 2.05 1.7510 6 6 2 8 52.62 1.27 1.7394 8 4 0 8 52.84 1.30 1.7326 8 1 3 16 53.32 1.46 1.7181 9 1 0 8 53.82 1.37 1.7034 6 2 5 16 54.64 14.37 1.6797 7 3 4 16 55.04 5.37 1.6685 8 4 2 16 55.24 24.46 1.6629 4 3 6 16 56.60 23.47 1.6262 5 2 6 16 56.67 1.53 1.6244 9 3 1 16 56.68 8.22 1.6239 8 0 4 8 56.74 30.80 1.6225 9 2 2 16 58.02 1.47 1.5896 8 2 4 16 58.27 1.27 1.5835 5 3 6 16 58.75 5.22 1.5716 7 7 0 4 58.92 1.18 1.5674 6 0 6 8 59.25 9.08 1.5595 6 1 6 16 59.34 9.09 1.5574 6 6 4 8 59.41 2.20 1.5558 8 6 0 8 59.61 2.02 1.5509 7 6 3 16 59.61 1.20 1.5509 9 2 3 16 59.87 1.58 1.5449 7 3 5 16 59.99 4.52 1.5421 7 5 4 16 60.23 2.41 1.5365 6 2 6 16 60.30 2.57 1.5349 10 1 1 16 60.71 9.80 1.5256 10 2 0 8 60.84 1.27 1.5225 6 5 5 16 60.91 1.67 1.5210 8 5 3 16 61.35 6.36 1.5111 9 5 0 8 61.84 2.77 1.5003 6 3 6 16 61.92 7.47 1.4985 8 4 4 16 61.97 2.98 1.4974 10 1 2 16 62.92 1.95 1.4770 10 2 2 16 62.99 5.34 1.4756 0 0 8 2 63.50 1.61 1.4649 7 6 4 16 64.05 1.21 1.4538 6 4 6 16 64.51 1.22 1.4445 10 4 0 8 64.71 1.53 1.4406 10 1 3 16 65.64 1.94 1.4224 10 2 3 16 66.37 2.52 1.4086 11 1 0 8 67.52 9.25 1.3872 7 7 4 8 68.13 2.18 1.3763 8 6 4 16 68.20 3.49 1.3751 8 8 0 4 68.32 1.26 1.3729 9 2 5 16 68.39 2.91 1.3718 8 7 3 16 68.80 1.82 1.3645 11 3 0 8 69.39 1.13 1.3544 10 5 2 16 69.39 1.40 1.3544 11 2 2 16 69.94 12.39 1.3451 9 5 4 16 70.33 1.28 1.3385 7 1 7 16 70.60 2.50 1.3341 10 6 0 8 70.95 2.64 1.3284 5 1 8 16 72.72 5.47 1.3003 4 4 8 8 72.91 1.54 1.2974 10 4 4 16 72.96 6.98 1.2967 11 4 2 16 74.01 8.11 1.2809 9 2 6 16 74.67 3.85 1.2712 11 1 4 16 75.07 6.01 1.2654 6 2 8 16 75.17 1.11 1.2639 8 5 6 16 75.30 2.20 1.2621 12 1 2 16 77.46 1.08 1.2322 10 4 5 16 77.63 2.31 1.2300 12 4 0 8 78.13 3.24 1.2233 12 4 1 16 79.26 2.23 1.2087 4 3 9 16 82.18 1.53 1.1729 12 5 2 16 83.33 1.19 1.1596 12 6 0 8 85.06 1.38 1.1404 10 1 7 16 86.10 1.03 1.1293 9 9 4 8 87.05 1.65 1.1194 9 1 8 16 87.85 2.17 1.1113 14 0 0 4 88.35 2.56 1.1062 11 7 4 16 88.35 2.41 1.1062 13 1 4 16 88.61 4.78 1.1037 4 3 10 16 88.84 4.68 1.1014 11 4 6 16 88.98 1.77 1.1001 14 2 0 8 89.30 1.37 1.0969 9 3 8 16 89.73 3.99 1.0928 5 2 10 16 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.