Ilvaite Carrozzini B European Journal of Mineralogy 6 (1994) 465-479 Crystal structure refinements of ilvaite: new relationships between chemical composition and crystallographic parameters Sample: Rio Marina X _database_code_amcsd 0006544 CELL PARAMETERS: 13.0120 8.8090 5.8490 90.000 90.020 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 670.428 Density (g/cm3): 4.028 MAX. ABS. INTENSITY / VOLUME**2: 11.54313693 RIR: 0.933 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.13 89.94 7.2946 1 1 0 4 13.61 30.06 6.5060 2 0 0 2 18.21 9.36 4.8727 0 1 1 4 19.45 6.52 4.5637 -1 1 1 4 19.45 6.50 4.5628 1 1 1 4 21.30 5.86 4.1720 1 2 0 4 22.80 3.28 3.9007 -2 1 1 4 22.80 3.26 3.8996 2 1 1 4 22.85 21.77 3.8912 3 1 0 4 26.24 3.49 3.3967 -1 2 1 4 26.24 3.37 3.3963 1 2 1 4 27.42 23.81 3.2530 4 0 0 2 27.53 3.38 3.2402 -3 1 1 4 27.54 3.41 3.2393 3 1 1 4 28.89 11.00 3.0904 3 2 0 4 30.57 8.02 2.9245 0 0 2 2 31.23 37.59 2.8643 1 3 0 4 31.46 50.97 2.8433 -4 0 1 2 31.47 50.39 2.8425 4 0 1 2 32.77 10.24 2.7327 -3 2 1 4 32.78 10.38 2.7322 3 2 1 4 33.00 49.90 2.7147 -1 1 2 4 33.00 50.10 2.7143 1 1 2 4 33.48 69.41 2.6764 2 3 0 4 34.17 1.32 2.6242 0 3 1 4 34.27 15.87 2.6167 4 2 0 4 34.88 3.68 2.5725 -1 3 1 4 34.88 3.56 2.5723 1 3 1 4 35.15 11.77 2.5532 -2 1 2 4 35.16 11.73 2.5526 2 1 2 4 35.98 9.51 2.4958 5 1 0 4 36.89 19.49 2.4363 0 2 2 4 36.93 18.00 2.4338 -2 3 1 4 36.94 17.76 2.4336 2 3 1 4 37.66 15.02 2.3888 -4 2 1 4 37.66 15.39 2.3883 4 2 1 4 38.50 16.05 2.3382 -3 1 2 4 38.51 16.17 2.3375 3 1 2 4 40.16 1.71 2.2454 -3 3 1 4 40.17 1.63 2.2451 3 3 1 4 40.98 1.32 2.2023 0 4 0 2 41.51 17.31 2.1752 -4 0 2 2 41.53 17.23 2.1744 4 0 2 2 41.59 19.68 2.1714 1 4 0 4 41.65 2.22 2.1687 6 0 0 2 42.55 5.11 2.1244 -3 2 2 4 42.57 5.18 2.1239 3 2 2 4 42.82 27.29 2.1118 -4 1 2 4 42.84 27.19 2.1111 4 1 2 4 43.38 13.12 2.0860 2 4 0 4 46.20 5.15 1.9648 -2 4 1 4 46.21 5.13 1.9647 2 4 1 4 46.23 13.20 1.9636 3 4 0 4 46.57 7.29 1.9503 -4 2 2 4 46.58 7.30 1.9498 4 2 2 4 46.64 1.46 1.9476 5 3 0 4 46.69 1.69 1.9456 6 2 0 4 47.78 3.57 1.9036 0 1 3 4 47.91 14.37 1.8987 -5 1 2 4 47.93 14.46 1.8981 5 1 2 4 49.31 2.06 1.8480 -5 3 1 4 49.32 1.98 1.8477 5 3 1 4 49.36 1.67 1.8463 -6 2 1 4 49.37 1.74 1.8460 6 2 1 4 50.01 2.19 1.8236 4 4 0 4 50.16 1.82 1.8188 7 1 0 4 51.98 2.01 1.7592 0 4 2 4 52.49 6.34 1.7434 -1 4 2 4 52.49 1.38 1.7433 -3 1 3 4 52.49 6.29 1.7433 1 4 2 4 52.50 1.35 1.7429 3 1 3 4 52.52 1.28 1.7423 -6 0 2 2 52.54 1.29 1.7417 6 0 2 2 53.51 18.04 1.7126 7 2 0 4 53.92 1.32 1.7006 2 5 0 4 54.39 1.19 1.6869 0 5 1 4 54.89 5.57 1.6726 -4 0 3 2 54.91 5.53 1.6721 4 0 3 2 54.92 6.62 1.6718 -6 3 1 4 54.93 6.59 1.6716 6 3 1 4 56.34 6.79 1.6330 -2 5 1 4 56.34 6.83 1.6329 2 5 1 4 56.44 7.08 1.6304 -3 4 2 4 56.45 7.04 1.6301 3 4 2 4 56.59 2.77 1.6265 8 0 0 2 56.79 10.20 1.6212 -5 3 2 4 56.80 10.18 1.6208 5 3 2 4 56.83 1.38 1.6201 -6 2 2 4 56.85 1.40 1.6196 6 2 2 4 57.15 1.68 1.6118 -1 3 3 4 57.15 1.76 1.6117 1 3 3 4 57.63 1.50 1.5995 8 1 0 4 58.57 4.36 1.5760 -2 3 3 4 58.58 4.41 1.5758 2 3 3 4 59.08 2.72 1.5636 -4 2 3 4 59.10 2.72 1.5632 4 2 3 4 59.86 2.59 1.5452 6 4 0 4 59.95 1.09 1.5430 -8 1 1 4 59.96 1.08 1.5427 8 1 1 4 60.70 18.50 1.5258 8 2 0 4 61.93 19.04 1.4984 -6 3 2 4 61.95 19.05 1.4980 6 3 2 4 63.25 24.03 1.4701 -2 5 2 4 63.26 24.02 1.4700 2 5 2 4 63.35 2.05 1.4682 0 6 0 2 63.63 28.54 1.4622 0 0 4 2 63.80 4.60 1.4589 1 6 0 4 65.42 7.13 1.4267 9 1 0 4 65.68 5.21 1.4217 -8 0 2 2 65.70 5.18 1.4212 8 0 2 2 65.74 4.23 1.4205 7 4 0 4 67.33 3.86 1.3907 3 6 0 4 68.05 1.02 1.3777 5 3 3 4 68.54 1.29 1.3691 -4 5 2 4 68.55 1.28 1.3689 4 5 2 4 68.63 10.15 1.3674 6 5 0 4 69.47 1.32 1.3530 -3 6 1 4 69.48 1.28 1.3529 3 6 1 4 70.61 1.07 1.3339 -4 0 4 2 70.63 1.09 1.3335 4 0 4 2 70.75 1.30 1.3316 -6 5 1 4 70.76 1.33 1.3315 6 5 1 4 72.59 2.41 1.3024 -1 3 4 4 72.59 2.44 1.3023 1 3 4 4 72.73 2.23 1.3002 -6 3 3 4 72.75 2.24 1.2999 6 3 3 4 73.58 1.81 1.2872 10 1 0 4 73.85 5.58 1.2833 -2 3 4 4 73.86 5.61 1.2831 2 3 4 4 73.96 3.44 1.2816 -2 5 3 4 73.97 3.38 1.2815 2 5 3 4 74.10 2.00 1.2796 -8 3 2 4 74.12 1.99 1.2793 8 3 2 4 74.30 1.28 1.2766 -4 2 4 4 74.32 1.26 1.2763 4 2 4 4 75.32 1.30 1.2618 -5 1 4 4 75.34 1.28 1.2615 5 1 4 4 76.21 1.33 1.2493 -5 6 1 4 76.22 1.34 1.2492 5 6 1 4 76.31 5.14 1.2479 10 2 0 4 78.71 1.46 1.2158 6 6 0 4 78.93 1.56 1.2129 -1 4 4 4 78.93 1.57 1.2128 1 4 4 4 80.15 1.02 1.1974 -2 4 4 4 80.34 1.66 1.1951 8 5 0 4 81.10 3.13 1.1858 -9 3 2 4 81.12 3.14 1.1856 9 3 2 4 82.12 1.76 1.1737 4 7 0 4 82.19 1.63 1.1729 -3 4 4 4 82.20 1.65 1.1727 3 4 4 4 82.79 1.47 1.1658 -10 3 1 4 82.80 1.46 1.1657 10 3 1 4 85.83 1.02 1.1322 -3 6 3 4 85.84 1.06 1.1321 3 6 3 4 87.03 1.31 1.1196 -6 5 3 4 87.05 1.29 1.1194 6 5 3 4 87.76 3.03 1.1122 -7 2 4 4 87.79 3.04 1.1119 7 2 4 4 88.78 1.81 1.1021 -10 3 2 4 88.80 1.81 1.1018 10 3 2 4 88.90 2.43 1.1009 -4 0 5 2 88.92 2.37 1.1007 4 0 5 2 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.