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: X-ray data, 298 K _database_code_amcsd 0005515 CELL PARAMETERS: 15.7360 15.7360 11.7200 90.000 90.000 90.000 SPACE GROUP: P4/nnc X-RAY WAVELENGTH: 1.541838 Cell Volume: 2902.126 Density (g/cm3): 3.438 MAX. ABS. INTENSITY / VOLUME**2: 7.633335157 RIR: 0.723 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 7.95 4.99 11.1270 1 1 0 4 15.12 7.15 5.8600 0 0 2 2 17.10 2.16 5.1849 1 1 2 8 18.88 2.91 4.6997 2 0 2 8 19.71 1.76 4.5032 2 1 2 16 22.03 5.14 4.0347 2 2 2 8 22.60 4.38 3.9340 4 0 0 4 25.31 14.93 3.5187 4 2 0 8 25.45 1.63 3.5003 3 2 2 16 27.30 6.45 3.2662 4 0 2 8 27.90 1.69 3.1981 4 1 2 16 28.93 10.67 3.0861 5 1 0 8 29.06 7.21 3.0728 3 1 3 16 29.39 12.44 3.0395 4 3 1 16 29.61 7.57 3.0166 4 2 2 16 29.94 1.92 2.9844 5 1 1 16 30.51 45.87 2.9300 0 0 4 2 30.72 16.38 2.9108 3 2 3 16 31.55 1.49 2.8353 5 2 1 16 31.58 1.14 2.8334 1 1 4 8 32.18 37.09 2.7818 4 4 0 4 32.29 100.00 2.7726 4 3 2 16 32.80 1.29 2.7306 5 1 2 16 33.20 6.96 2.6987 5 3 0 8 34.29 78.00 2.6150 5 2 2 16 34.30 3.87 2.6145 4 2 3 16 34.60 38.70 2.5925 2 2 4 8 35.54 1.48 2.5262 6 1 1 16 35.56 9.30 2.5248 3 1 4 16 36.10 42.49 2.4881 6 2 0 8 36.67 15.44 2.4508 5 0 3 8 36.95 1.36 2.4326 3 2 4 16 37.39 1.15 2.4052 5 4 1 16 37.57 5.78 2.3939 6 0 2 8 38.02 3.88 2.3666 6 1 2 16 38.30 11.77 2.3499 4 0 4 8 38.47 3.76 2.3400 5 2 3 16 38.74 10.76 2.3241 4 1 4 16 39.16 1.53 2.3002 6 3 1 16 39.18 5.02 2.2992 3 3 4 8 39.77 1.48 2.2663 5 4 2 16 40.54 6.40 2.2254 7 1 0 8 40.57 2.99 2.2239 2 1 5 16 40.63 2.91 2.2204 5 3 3 16 40.88 5.29 2.2078 7 0 1 8 41.29 5.27 2.1863 7 1 1 16 41.88 2.71 2.1569 6 1 3 16 42.12 9.97 2.1453 6 4 1 16 42.14 4.23 2.1445 4 3 4 16 42.53 1.15 2.1257 7 2 1 16 42.64 14.74 2.1205 3 1 5 16 43.10 7.77 2.0986 6 2 3 16 43.50 4.97 2.0804 7 1 2 16 43.51 3.34 2.0802 5 4 3 16 43.75 3.06 2.0690 5 2 4 16 43.81 11.09 2.0662 7 3 0 8 44.29 4.56 2.0450 6 4 2 16 44.53 7.09 2.0349 7 3 1 16 44.69 1.03 2.0279 7 2 2 16 45.08 8.16 2.0111 6 3 3 16 45.69 6.24 1.9857 6 5 1 16 46.61 2.96 1.9487 7 3 2 16 46.85 1.51 1.9393 6 1 4 16 46.99 6.04 1.9337 7 1 3 16 47.21 1.62 1.9253 7 4 1 16 47.66 5.71 1.9083 8 2 0 8 47.73 1.93 1.9053 6 5 2 16 47.97 2.44 1.8965 6 2 4 16 47.99 5.86 1.8958 2 0 6 8 48.36 2.44 1.8822 2 1 6 16 48.42 1.55 1.8799 5 0 5 8 48.42 2.92 1.8799 4 3 5 16 48.79 3.84 1.8666 5 1 5 16 50.17 1.60 1.8183 3 1 6 16 50.28 1.59 1.8145 8 2 2 16 51.57 1.38 1.7722 5 5 4 8 51.57 12.08 1.7722 7 1 4 16 52.27 1.93 1.7501 6 4 4 16 52.67 3.30 1.7378 9 1 0 8 53.73 1.16 1.7061 6 2 5 16 54.33 10.82 1.6886 7 3 4 16 54.45 4.65 1.6850 8 4 2 16 55.36 20.61 1.6597 4 3 6 16 55.99 2.24 1.6424 9 3 1 16 56.13 36.42 1.6387 9 2 2 16 56.34 6.81 1.6331 8 0 4 8 56.68 19.01 1.6239 5 2 6 16 57.72 1.19 1.5972 6 4 5 16 58.02 7.95 1.5896 7 7 0 4 58.94 9.47 1.5670 6 6 4 8 58.96 1.23 1.5666 6 0 6 8 59.06 1.02 1.5641 9 2 3 16 59.06 1.41 1.5641 7 6 3 16 59.28 12.38 1.5589 6 1 6 16 59.57 1.65 1.5520 10 1 1 16 59.58 4.93 1.5517 7 5 4 16 59.95 5.24 1.5430 10 2 0 8 60.23 1.15 1.5364 6 2 6 16 60.52 1.20 1.5298 10 2 1 16 60.58 3.93 1.5284 9 5 0 8 60.60 1.06 1.5279 6 5 5 16 60.96 1.75 1.5198 10 0 2 8 61.28 3.17 1.5127 10 1 2 16 61.32 1.37 1.5119 4 2 7 16 61.48 8.51 1.5083 8 4 4 16 61.81 3.56 1.5011 6 3 6 16 62.21 1.35 1.4922 10 2 2 16 63.03 1.61 1.4748 7 6 4 16 63.50 3.64 1.4650 0 0 8 2 63.76 1.07 1.4596 8 6 3 16 63.97 2.09 1.4554 6 4 6 16 64.07 1.65 1.4534 10 1 3 16 64.11 1.11 1.4525 1 1 8 8 64.98 1.99 1.4352 10 2 3 16 66.98 9.26 1.3972 7 7 4 8 67.32 2.08 1.3909 8 8 0 4 67.57 1.51 1.3863 8 6 4 16 67.69 2.05 1.3843 8 7 3 16 67.92 3.22 1.3801 11 3 0 8 68.57 1.08 1.3685 10 5 2 16 68.57 1.30 1.3685 11 2 2 16 69.35 10.11 1.3551 9 5 4 16 69.41 1.05 1.3540 9 3 5 16 69.69 1.20 1.3494 10 6 0 8 70.37 1.25 1.3379 7 1 7 16 71.25 2.47 1.3234 5 1 8 16 71.39 1.06 1.3213 8 7 4 16 72.08 7.17 1.3104 11 4 2 16 72.26 1.09 1.3075 10 4 4 16 72.32 1.48 1.3065 8 6 5 16 72.99 4.86 1.2962 4 4 8 8 73.71 6.89 1.2853 9 2 6 16 73.98 2.88 1.2812 11 1 4 16 74.37 1.38 1.2755 12 1 2 16 75.28 4.67 1.2624 6 2 8 16 75.55 1.52 1.2585 8 2 7 16 76.59 1.39 1.2440 12 4 0 8 76.89 1.07 1.2399 10 4 5 16 76.96 1.24 1.2389 8 3 7 16 77.10 2.80 1.2371 12 4 1 16 79.42 1.94 1.2067 10 5 5 16 79.68 1.29 1.2033 4 3 9 16 84.77 1.48 1.1436 10 1 7 16 86.61 1.44 1.1240 14 0 0 4 86.99 1.01 1.1201 9 1 8 16 87.39 3.04 1.1159 11 7 4 16 87.39 2.19 1.1159 13 1 4 16 87.71 1.02 1.1127 14 2 0 8 88.23 3.45 1.1075 11 4 6 16 89.16 2.77 1.0983 4 3 10 16 89.19 1.50 1.0980 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.