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: Cinco Villas X-3 _database_code_amcsd 0006538 CELL PARAMETERS: 13.0140 8.8110 5.8520 90.000 90.070 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 671.027 Density (g/cm3): 4.007 MAX. ABS. INTENSITY / VOLUME**2: 9.790041189 RIR: 0.795 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.13 100.00 7.2961 1 1 0 4 13.61 34.80 6.5070 2 0 0 2 18.20 10.98 4.8748 0 1 1 4 19.44 6.92 4.5665 -1 1 1 4 19.45 8.02 4.5635 1 1 1 4 21.29 6.54 4.1729 1 2 0 4 22.78 3.72 3.9033 -2 1 1 4 22.80 3.97 3.8995 2 1 1 4 22.85 24.93 3.8919 3 1 0 4 26.22 4.07 3.3982 -1 2 1 4 26.23 4.04 3.3969 1 2 1 4 27.41 26.99 3.2535 4 0 0 2 27.51 3.86 3.2423 -3 1 1 4 27.54 4.32 3.2390 3 1 1 4 28.88 12.36 3.0910 3 2 0 4 30.55 9.97 2.9260 0 0 2 2 31.22 44.13 2.8649 1 3 0 4 31.44 60.91 2.8451 -4 0 1 2 31.48 58.39 2.8421 4 0 1 2 32.75 11.73 2.7342 -3 2 1 4 32.78 12.50 2.7322 3 2 1 4 32.97 57.63 2.7164 -1 1 2 4 32.99 57.91 2.7151 1 1 2 4 33.47 80.50 2.6769 2 3 0 4 34.16 1.50 2.6250 0 3 1 4 34.26 18.13 2.6172 4 2 0 4 34.86 4.48 2.5734 -1 3 1 4 34.87 4.06 2.5729 1 3 1 4 35.12 13.73 2.5551 -2 1 2 4 35.15 13.57 2.5530 2 1 2 4 35.98 10.63 2.4962 5 1 0 4 36.88 22.34 2.4374 0 2 2 4 36.92 21.82 2.4348 -2 3 1 4 36.93 20.43 2.4339 2 3 1 4 37.64 17.24 2.3900 -4 2 1 4 37.66 18.80 2.3882 4 2 1 4 38.47 18.67 2.3400 -3 1 2 4 38.51 18.70 2.3375 3 1 2 4 40.14 2.07 2.2463 -3 3 1 4 40.16 1.83 2.2453 3 3 1 4 40.97 1.56 2.2027 0 4 0 2 41.48 20.12 2.1769 -4 0 2 2 41.53 19.79 2.1743 4 0 2 2 41.58 22.93 2.1719 1 4 0 4 41.64 2.52 2.1690 6 0 0 2 42.52 5.83 2.1259 -3 2 2 4 42.56 5.87 2.1240 3 2 2 4 42.79 32.12 2.1134 -4 1 2 4 42.84 31.90 2.1109 4 1 2 4 43.37 15.41 2.0864 2 4 0 4 46.19 6.07 1.9655 -2 4 1 4 46.20 6.04 1.9650 2 4 1 4 46.22 15.19 1.9640 3 4 0 4 46.53 8.41 1.9516 -4 2 2 4 46.58 8.40 1.9497 4 2 2 4 46.63 1.63 1.9479 5 3 0 4 46.68 1.94 1.9459 6 2 0 4 47.75 4.16 1.9045 0 1 3 4 47.87 16.58 1.9001 -5 1 2 4 47.93 16.73 1.8979 5 1 2 4 49.29 2.56 1.8487 -5 3 1 4 49.32 2.28 1.8477 5 3 1 4 49.34 1.87 1.8471 -6 2 1 4 49.37 2.11 1.8459 6 2 1 4 50.00 2.56 1.8240 4 4 0 4 50.15 2.13 1.8191 7 1 0 4 51.72 1.14 1.7674 -1 2 3 4 51.96 2.33 1.7598 0 4 2 4 52.45 1.54 1.7446 -3 1 3 4 52.46 7.37 1.7441 -1 4 2 4 52.48 7.23 1.7438 1 4 2 4 52.49 1.43 1.7435 -6 0 2 2 52.50 1.50 1.7431 3 1 3 4 52.55 1.48 1.7414 6 0 2 2 53.50 21.06 1.7129 7 2 0 4 53.90 1.44 1.7009 2 5 0 4 54.37 1.45 1.6874 0 5 1 4 54.58 1.05 1.6814 5 4 0 4 54.85 6.60 1.6739 -4 0 3 2 54.90 7.90 1.6725 -6 3 1 4 54.91 6.59 1.6721 4 0 3 2 54.93 7.62 1.6716 6 3 1 4 56.32 7.87 1.6335 -2 5 1 4 56.33 8.23 1.6332 2 5 1 4 56.41 8.28 1.6312 -3 4 2 4 56.44 8.10 1.6303 3 4 2 4 56.58 3.34 1.6267 8 0 0 2 56.75 11.97 1.6222 -5 3 2 4 56.79 1.59 1.6211 -6 2 2 4 56.80 11.94 1.6208 5 3 2 4 56.85 1.64 1.6195 6 2 2 4 57.12 1.90 1.6126 -1 3 3 4 57.13 2.13 1.6122 1 3 3 4 57.62 1.71 1.5997 8 1 0 4 58.53 5.12 1.5769 -2 3 3 4 58.57 5.32 1.5761 2 3 3 4 59.03 3.24 1.5648 -4 2 3 4 59.09 3.13 1.5633 4 2 3 4 59.84 3.02 1.5455 6 4 0 4 59.93 1.29 1.5436 -8 1 1 4 59.97 1.26 1.5426 8 1 1 4 60.69 21.76 1.5260 8 2 0 4 61.89 22.33 1.4992 -6 3 2 4 61.95 22.34 1.4979 6 3 2 4 63.23 28.08 1.4707 -2 5 2 4 63.25 27.98 1.4703 2 5 2 4 63.33 2.38 1.4685 0 6 0 2 63.60 33.59 1.4630 0 0 4 2 63.78 5.35 1.4592 1 6 0 4 65.40 8.29 1.4269 9 1 0 4 65.63 6.12 1.4225 -8 0 2 2 65.71 6.07 1.4211 8 0 2 2 65.72 4.85 1.4207 7 4 0 4 67.32 4.47 1.3910 3 6 0 4 67.98 1.15 1.3790 -5 3 3 4 68.05 1.23 1.3777 5 3 3 4 68.51 1.53 1.3697 -4 5 2 4 68.54 1.50 1.3690 4 5 2 4 68.62 11.87 1.3677 6 5 0 4 69.45 1.63 1.3534 -3 6 1 4 69.46 1.48 1.3531 3 6 1 4 70.55 1.25 1.3349 -4 0 4 2 70.62 1.26 1.3337 4 0 4 2 70.73 1.52 1.3320 -6 5 1 4 70.75 1.60 1.3316 6 5 1 4 72.25 1.02 1.3076 0 5 3 4 72.54 2.86 1.3031 -1 3 4 4 72.56 2.89 1.3028 1 3 4 4 72.67 2.64 1.3011 -6 3 3 4 72.75 2.70 1.2998 6 3 3 4 73.57 2.17 1.2874 10 1 0 4 73.79 6.53 1.2841 -2 3 4 4 73.83 6.62 1.2835 2 3 4 4 73.92 4.10 1.2822 -2 5 3 4 73.95 3.95 1.2818 2 5 3 4 74.05 2.31 1.2803 -8 3 2 4 74.12 2.32 1.2792 8 3 2 4 74.23 1.50 1.2776 -4 2 4 4 74.31 1.47 1.2765 4 2 4 4 75.25 1.52 1.2628 -5 1 4 4 75.34 1.47 1.2615 5 1 4 4 76.18 1.57 1.2496 -5 6 1 4 76.20 1.57 1.2493 5 6 1 4 76.29 6.04 1.2481 10 2 0 4 77.19 1.16 1.2358 2 7 0 4 78.69 1.72 1.2160 6 6 0 4 78.88 1.82 1.2135 -1 4 4 4 78.90 1.85 1.2133 1 4 4 4 80.10 1.21 1.1981 -2 4 4 4 80.14 1.18 1.1976 2 4 4 4 80.32 1.94 1.1953 8 5 0 4 81.05 3.69 1.1864 -9 3 2 4 81.13 3.66 1.1855 9 3 2 4 82.10 2.11 1.1739 4 7 0 4 82.13 1.89 1.1736 -3 4 4 4 82.18 1.95 1.1730 3 4 4 4 82.76 1.75 1.1662 -10 3 1 4 82.80 1.72 1.1657 10 3 1 4 85.78 1.18 1.1327 -3 6 3 4 85.82 1.28 1.1323 3 6 3 4 86.97 1.56 1.1203 -6 5 3 4 87.05 1.49 1.1195 6 5 3 4 87.67 3.58 1.1131 -7 2 4 4 87.80 3.55 1.1118 7 2 4 4 88.72 2.13 1.1026 -10 3 2 4 88.81 2.12 1.1018 10 3 2 4 88.81 2.90 1.1017 -4 0 5 2 88.90 2.76 1.1009 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.