Vesuvianite Ohkawa M, Yoshiasa A, Takeno S American Mineralogist 77 (1992) 945-953 Crystal chemistry of vesuvianite: Site preferences of square-pyramidal coordinated sites sample #3 from Jinmu _database_code_amcsd 0001539 CELL PARAMETERS: 15.5830 15.5830 11.8010 90.000 90.000 90.000 SPACE GROUP: P4/nnc X-RAY WAVELENGTH: 1.541838 Cell Volume: 2865.635 Density (g/cm3): 3.410 MAX. ABS. INTENSITY / VOLUME**2: 8.235795082 RIR: 0.786 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 8.02 7.70 11.0188 1 1 0 4 9.40 3.16 9.4077 1 0 1 8 14.76 1.20 6.0007 2 1 1 16 15.01 11.39 5.9005 0 0 2 2 16.09 1.35 5.5094 2 2 0 4 17.05 2.57 5.2017 1 1 2 8 18.87 5.45 4.7039 2 0 2 8 19.71 2.37 4.5032 2 1 2 16 21.90 2.09 4.0583 3 2 1 16 22.07 12.82 4.0269 2 2 2 8 22.83 3.00 3.8958 4 0 0 4 23.52 1.30 3.7822 3 1 2 16 25.55 1.57 3.4867 3 2 2 16 25.56 14.29 3.4845 4 2 0 8 27.43 9.76 3.2511 4 0 2 8 28.04 1.05 3.1825 4 1 2 16 29.05 5.65 3.0743 3 1 3 16 29.22 9.12 3.0561 5 1 0 8 29.65 8.77 3.0133 4 3 1 16 29.78 5.56 3.0004 4 2 2 16 30.30 57.08 2.9502 0 0 4 2 30.73 6.13 2.9091 3 2 3 16 31.39 4.12 2.8499 1 1 4 8 32.49 100.00 2.7558 4 3 2 16 32.50 32.34 2.7547 4 4 0 4 33.53 3.38 2.6725 5 3 0 8 34.38 2.33 2.6083 4 2 3 16 34.48 30.99 2.6008 2 2 4 8 34.52 64.45 2.5981 5 2 2 16 35.46 7.20 2.5313 3 1 4 16 35.87 1.86 2.5035 6 1 1 16 36.47 49.28 2.4639 6 2 0 8 36.79 10.53 2.4428 5 0 3 8 36.89 1.78 2.4367 3 2 4 16 37.26 1.33 2.4133 5 1 3 16 37.74 2.11 2.3835 5 4 1 16 37.85 6.30 2.3771 6 0 2 8 38.27 8.13 2.3519 4 0 4 8 38.30 3.69 2.3499 6 1 2 16 38.58 3.13 2.3336 1 0 5 8 38.63 4.26 2.3309 5 2 3 16 38.72 7.64 2.3256 4 1 4 16 39.17 5.93 2.3001 3 3 4 8 39.54 3.89 2.2792 6 3 1 16 40.04 1.15 2.2516 4 2 4 16 40.35 3.85 2.2355 2 1 5 16 40.82 4.32 2.2106 5 3 3 16 40.95 8.18 2.2038 7 1 0 8 41.27 4.43 2.1876 7 0 1 8 41.69 5.69 2.1663 7 1 1 16 42.05 1.55 2.1488 3 0 5 8 42.09 2.33 2.1467 6 1 3 16 42.18 2.55 2.1425 4 3 4 16 42.47 13.80 2.1286 3 1 5 16 42.53 9.75 2.1256 6 4 1 16 43.33 7.25 2.0881 6 2 3 16 43.74 3.14 2.0696 5 4 3 16 43.82 1.68 2.0659 5 2 4 16 43.85 3.91 2.0645 7 1 2 16 44.27 9.83 2.0461 7 3 0 8 44.66 4.30 2.0292 6 4 2 16 44.96 5.72 2.0161 7 3 1 16 45.34 9.13 2.0002 6 3 3 16 45.81 1.11 1.9807 5 3 4 16 46.14 6.30 1.9673 6 5 1 16 46.97 1.75 1.9343 6 1 4 16 47.00 2.49 1.9332 7 3 2 16 47.28 5.02 1.9226 7 1 3 16 47.68 1.88 1.9074 7 4 1 16 47.69 4.93 1.9070 2 0 6 8 48.07 2.52 1.8929 2 1 6 16 48.11 3.12 1.8911 6 2 4 16 48.14 1.20 1.8901 6 5 2 16 48.15 6.09 1.8897 8 2 0 8 48.38 2.71 1.8815 5 0 5 8 48.38 1.70 1.8815 4 3 5 16 48.75 3.00 1.8680 5 1 5 16 50.73 1.42 1.7997 8 2 2 16 51.78 12.84 1.7656 7 1 4 16 51.78 1.33 1.7656 5 5 4 8 52.16 1.09 1.7535 6 6 2 8 52.49 1.02 1.7433 6 4 4 16 53.23 3.48 1.7209 9 1 0 8 53.78 1.37 1.7044 6 2 5 16 54.58 12.75 1.6813 7 3 4 16 54.95 3.67 1.6709 8 4 2 16 55.22 23.45 1.6633 4 3 6 16 56.57 1.67 1.6269 9 3 1 16 56.58 21.68 1.6267 5 2 6 16 56.62 7.74 1.6255 8 0 4 8 56.65 29.96 1.6249 9 2 2 16 58.65 6.84 1.5741 7 7 0 4 58.90 1.15 1.5680 6 0 6 8 59.23 9.17 1.5601 6 1 6 16 59.27 9.13 1.5591 6 6 4 8 59.30 1.02 1.5583 8 6 0 8 59.53 1.26 1.5529 7 6 3 16 59.82 1.40 1.5460 7 3 5 16 59.92 3.94 1.5437 7 5 4 16 60.19 1.75 1.5374 10 1 1 16 60.20 1.67 1.5371 6 2 6 16 60.60 5.90 1.5280 10 2 0 8 60.79 1.19 1.5237 6 5 5 16 61.24 4.08 1.5136 9 5 0 8 61.81 2.94 1.5011 6 3 6 16 61.85 7.41 1.5002 8 4 4 16 61.87 3.00 1.4997 10 1 2 16 62.48 1.03 1.4865 9 1 4 16 62.75 1.30 1.4808 10 3 1 16 62.82 1.06 1.4792 10 2 2 16 63.02 4.73 1.4751 0 0 8 2 63.42 1.62 1.4666 7 6 4 16 64.01 1.35 1.4546 6 4 6 16 65.54 1.94 1.4243 10 2 3 16 66.25 1.24 1.4108 11 1 0 8 67.43 8.90 1.3888 7 7 4 8 68.04 1.71 1.3779 8 6 4 16 68.07 2.21 1.3774 8 8 0 4 68.28 2.05 1.3736 8 7 3 16 68.67 3.06 1.3667 11 3 0 8 69.27 1.09 1.3565 10 5 2 16 69.27 1.29 1.3565 11 2 2 16 69.84 11.50 1.3467 9 5 4 16 70.30 1.33 1.3390 7 1 7 16 70.47 1.22 1.3362 10 6 0 8 70.94 2.39 1.3285 5 1 8 16 72.72 5.06 1.3004 4 4 8 8 72.80 1.18 1.2990 10 4 4 16 72.83 6.38 1.2987 11 4 2 16 73.94 7.65 1.2819 9 2 6 16 74.56 3.42 1.2728 11 1 4 16 75.05 5.12 1.2656 6 2 8 16 75.10 1.10 1.2649 8 5 6 16 75.16 2.02 1.2641 12 1 2 16 75.59 1.03 1.2580 8 2 7 16 77.36 1.06 1.2335 10 4 5 16 77.48 1.29 1.2319 12 4 0 8 77.98 3.12 1.2253 12 4 1 16 79.26 1.37 1.2086 4 3 9 16 79.94 1.12 1.2001 10 5 5 16 82.03 1.25 1.1747 12 5 2 16 84.99 1.50 1.1413 10 1 7 16 87.00 1.48 1.1200 9 1 8 16 87.67 1.47 1.1131 14 0 0 4 88.21 2.12 1.1077 13 1 4 16 88.21 2.37 1.1077 11 7 4 16 88.62 4.10 1.1036 4 3 10 16 88.73 4.02 1.1025 11 4 6 16 89.24 1.22 1.0975 9 3 8 16 89.74 3.42 1.0927 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.