Vesuvianite Groat L A, Hawthorne F C, Lager G A, Schultz A J, Ercit T S The Canadian Mineralogist 34 (1996) 1059-1070 X-ray and neutron crystal-structure refinements of a boron-bearing vesuvianite Sample: neutron data, 15 K _database_code_amcsd 0005516 CELL PARAMETERS: 15.7250 15.7250 11.7160 90.000 90.000 90.000 SPACE GROUP: P4/nnc X-RAY WAVELENGTH: 1.541838 Cell Volume: 2897.081 Density (g/cm3): 3.454 MAX. ABS. INTENSITY / VOLUME**2: 7.723857012 RIR: 0.728 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 7.95 4.87 11.1193 1 1 0 4 14.69 1.22 6.0296 2 1 1 16 15.12 5.89 5.8580 0 0 2 2 17.11 2.14 5.1827 1 1 2 8 18.89 1.94 4.6975 2 0 2 8 19.72 1.88 4.5010 2 1 2 16 22.04 4.61 4.0326 2 2 2 8 22.62 3.95 3.9313 4 0 0 4 25.33 13.32 3.5162 4 2 0 8 25.46 1.55 3.4983 3 2 2 16 27.32 6.36 3.2643 4 0 2 8 27.91 1.57 3.1962 4 1 2 16 28.95 11.04 3.0839 5 1 0 8 29.07 7.31 3.0714 3 1 3 16 29.41 12.63 3.0375 4 3 1 16 29.63 6.74 3.0148 4 2 2 16 29.96 1.79 2.9823 5 1 1 16 30.52 44.74 2.9290 0 0 4 2 30.73 16.30 2.9094 3 2 3 16 31.58 1.81 2.8334 5 2 1 16 31.59 1.06 2.8324 1 1 4 8 32.20 38.01 2.7798 4 4 0 4 32.31 100.00 2.7709 4 3 2 16 32.82 1.22 2.7289 5 1 2 16 33.22 7.21 2.6968 5 3 0 8 34.31 78.82 2.6134 5 2 2 16 34.32 3.77 2.6131 4 2 3 16 34.61 39.69 2.5914 2 2 4 8 35.56 1.47 2.5244 6 1 1 16 35.57 9.66 2.5237 3 1 4 16 36.13 43.75 2.4863 6 2 0 8 36.69 15.64 2.4495 5 0 3 8 36.97 1.46 2.4315 3 2 4 16 37.41 1.23 2.4036 5 4 1 16 37.60 6.22 2.3923 6 0 2 8 38.05 4.04 2.3651 6 1 2 16 38.32 12.35 2.3488 4 0 4 8 38.49 3.84 2.3386 5 2 3 16 38.76 10.94 2.3230 4 1 4 16 39.19 1.62 2.2986 6 3 1 16 39.20 5.33 2.2981 3 3 4 8 39.80 1.48 2.2649 5 4 2 16 40.07 1.02 2.2505 4 2 4 16 40.57 6.41 2.2239 7 1 0 8 40.58 2.94 2.2230 2 1 5 16 40.66 3.03 2.2191 5 3 3 16 40.90 5.49 2.2062 7 0 1 8 41.32 5.21 2.1848 7 1 1 16 41.91 2.73 2.1557 6 1 3 16 42.15 10.24 2.1438 6 4 1 16 42.16 4.17 2.1434 4 3 4 16 42.56 1.07 2.1242 7 2 1 16 42.66 15.07 2.1197 3 1 5 16 43.13 8.00 2.0974 6 2 3 16 43.53 5.21 2.0791 7 1 2 16 43.53 3.31 2.0789 5 4 3 16 43.78 2.98 2.0679 5 2 4 16 43.85 11.24 2.0648 7 3 0 8 44.32 4.63 2.0437 6 4 2 16 44.56 7.05 2.0335 7 3 1 16 44.72 1.08 2.0266 7 2 2 16 45.11 7.93 2.0099 6 3 3 16 45.72 6.46 1.9843 6 5 1 16 46.64 2.95 1.9474 7 3 2 16 46.87 1.45 1.9382 6 1 4 16 47.02 6.32 1.9325 7 1 3 16 47.24 1.62 1.9240 7 4 1 16 47.69 5.61 1.9069 8 2 0 8 47.77 2.10 1.9041 6 5 2 16 48.00 2.33 1.8955 6 2 4 16 48.01 6.41 1.8951 2 0 6 8 48.38 2.50 1.8815 2 1 6 16 48.44 1.66 1.8790 5 0 5 8 48.44 2.96 1.8790 4 3 5 16 48.81 4.00 1.8657 5 1 5 16 50.19 1.54 1.8176 3 1 6 16 50.32 1.59 1.8133 8 2 2 16 51.60 12.26 1.7712 7 1 4 16 51.60 1.52 1.7712 5 5 4 8 52.30 1.95 1.7491 6 4 4 16 52.71 3.31 1.7365 9 1 0 8 53.76 1.14 1.7053 6 2 5 16 54.36 11.37 1.6876 7 3 4 16 54.49 4.88 1.6839 8 4 2 16 55.38 21.19 1.6589 4 3 6 16 56.03 2.28 1.6412 9 3 1 16 56.17 38.13 1.6376 9 2 2 16 56.37 7.07 1.6322 8 0 4 8 56.71 20.14 1.6232 5 2 6 16 57.75 1.23 1.5963 6 4 5 16 58.07 8.18 1.5885 7 7 0 4 58.98 9.93 1.5661 6 6 4 8 58.99 1.24 1.5658 6 0 6 8 59.10 1.36 1.5630 7 6 3 16 59.31 13.51 1.5581 6 1 6 16 59.61 1.56 1.5509 10 1 1 16 59.62 5.13 1.5508 7 5 4 16 59.99 5.78 1.5420 10 2 0 8 60.27 1.29 1.5357 6 2 6 16 60.38 1.14 1.5330 8 5 3 16 60.57 1.24 1.5288 10 2 1 16 60.63 4.28 1.5273 9 5 0 8 60.64 1.28 1.5271 6 5 5 16 61.01 1.08 1.5187 8 6 2 16 61.01 1.80 1.5187 10 0 2 8 61.32 3.53 1.5117 10 1 2 16 61.34 1.31 1.5112 4 2 7 16 61.52 9.49 1.5074 8 4 4 16 61.84 3.89 1.5003 6 3 6 16 62.26 1.47 1.4912 10 2 2 16 63.07 1.68 1.4739 7 6 4 16 63.53 3.84 1.4645 0 0 8 2 63.81 1.12 1.4587 8 6 3 16 64.00 2.29 1.4547 6 4 6 16 64.11 1.54 1.4525 10 1 3 16 64.14 1.10 1.4520 1 1 8 8 65.03 2.12 1.4342 10 2 3 16 67.02 9.75 1.3963 7 7 4 8 67.37 2.31 1.3899 8 8 0 4 67.62 1.62 1.3855 8 6 4 16 67.74 2.00 1.3834 8 7 3 16 67.97 3.49 1.3792 11 3 0 8 68.62 1.17 1.3676 10 5 2 16 68.62 1.39 1.3676 11 2 2 16 69.40 10.89 1.3543 9 5 4 16 69.46 1.10 1.3532 9 3 5 16 69.74 1.32 1.3484 10 6 0 8 70.41 1.23 1.3373 7 1 7 16 71.29 2.63 1.3229 5 1 8 16 71.44 1.17 1.3204 8 7 4 16 72.13 7.62 1.3095 11 4 2 16 72.31 1.25 1.3067 10 4 4 16 72.37 1.58 1.3057 8 6 5 16 73.02 5.53 1.2957 4 4 8 8 73.74 1.00 1.2848 12 2 1 16 73.76 7.52 1.2846 9 2 6 16 74.04 3.28 1.2804 11 1 4 16 74.43 1.53 1.2746 12 1 2 16 74.90 1.02 1.2678 8 5 6 16 75.31 5.25 1.2619 6 2 8 16 75.59 1.64 1.2579 8 2 7 16 76.32 1.06 1.2478 11 3 4 16 76.65 1.61 1.2432 12 4 0 8 76.71 1.05 1.2424 12 3 2 16 76.94 1.05 1.2392 10 4 5 16 77.01 1.21 1.2383 8 3 7 16 77.16 3.00 1.2362 12 4 1 16 78.30 1.13 1.2210 10 1 6 16 79.48 1.94 1.2059 10 5 5 16 79.72 1.35 1.2028 4 3 9 16 84.83 1.59 1.1430 10 1 7 16 85.28 1.08 1.1381 6 3 9 16 86.68 1.54 1.1232 14 0 0 4 87.04 1.11 1.1195 9 1 8 16 87.46 3.49 1.1152 11 7 4 16 87.46 2.38 1.1152 13 1 4 16 87.79 1.10 1.1119 14 2 0 8 88.30 3.71 1.1068 11 4 6 16 89.20 3.04 1.0979 4 3 10 16 89.25 1.63 1.0975 9 3 8 16 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.