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-2 _database_code_amcsd 0006537 CELL PARAMETERS: 13.0060 8.8080 5.8580 90.000 90.310 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 671.064 Density (g/cm3): 4.013 MAX. ABS. INTENSITY / VOLUME**2: 9.960977551 RIR: 0.808 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.14 100.00 7.2929 1 1 0 4 13.62 34.24 6.5029 2 0 0 2 18.19 11.02 4.8777 0 1 1 4 19.41 7.77 4.5738 -1 1 1 4 19.47 7.08 4.5603 1 1 1 4 21.30 6.55 4.1713 1 2 0 4 22.74 3.87 3.9105 -2 1 1 4 22.84 3.61 3.8936 2 1 1 4 22.86 24.58 3.8896 3 1 0 4 26.21 4.74 3.4007 -1 2 1 4 26.25 3.34 3.3951 1 2 1 4 27.43 26.84 3.2515 4 0 0 2 27.46 3.80 3.2476 -3 1 1 4 27.59 4.31 3.2331 3 1 1 4 28.90 12.18 3.0895 3 2 0 4 30.52 9.56 2.9290 0 0 2 2 31.23 43.58 2.8639 1 3 0 4 31.39 61.02 2.8494 -4 0 1 2 31.54 56.17 2.8364 4 0 1 2 32.72 11.47 2.7371 -3 2 1 4 32.83 12.45 2.7284 3 2 1 4 32.92 57.30 2.7208 -1 1 2 4 32.99 57.63 2.7151 1 1 2 4 33.49 79.48 2.6759 2 3 0 4 34.16 1.49 2.6248 0 3 1 4 34.28 18.13 2.6158 4 2 0 4 34.85 4.56 2.5741 -1 3 1 4 34.89 3.67 2.5717 1 3 1 4 35.05 13.94 2.5604 -2 1 2 4 35.18 13.03 2.5510 2 1 2 4 36.00 10.55 2.4947 5 1 0 4 36.85 22.37 2.4388 0 2 2 4 36.90 21.60 2.4360 -2 3 1 4 36.96 19.81 2.4319 2 3 1 4 37.60 15.93 2.3924 -4 2 1 4 37.72 19.79 2.3846 4 2 1 4 38.38 18.05 2.3453 -3 1 2 4 38.57 19.02 2.3343 3 1 2 4 39.33 1.21 2.2909 5 1 1 4 40.12 2.31 2.2477 -3 3 1 4 40.21 1.48 2.2429 3 3 1 4 40.99 1.53 2.2020 0 4 0 2 41.38 20.41 2.1821 -4 0 2 2 41.60 22.67 2.1711 1 4 0 4 41.61 18.97 2.1704 4 0 2 2 41.67 2.48 2.1676 6 0 0 2 42.44 5.61 2.1297 -3 2 2 4 42.62 6.10 2.1215 3 2 2 4 42.69 32.23 2.1180 -4 1 2 4 42.92 30.93 2.1073 4 1 2 4 43.39 15.28 2.0857 2 4 0 4 46.18 6.07 1.9659 -2 4 1 4 46.23 5.86 1.9638 2 4 1 4 46.24 15.13 1.9633 3 4 0 4 46.44 8.28 1.9552 -4 2 2 4 46.65 1.64 1.9470 5 3 0 4 46.66 8.37 1.9468 4 2 2 4 46.71 1.91 1.9448 6 2 0 4 47.71 4.11 1.9064 0 1 3 4 47.77 16.05 1.9040 -5 1 2 4 48.03 17.00 1.8943 5 1 2 4 49.26 2.74 1.8498 -5 3 1 4 49.30 1.65 1.8484 -6 2 1 4 49.39 2.11 1.8454 5 3 1 4 49.45 2.25 1.8431 6 2 1 4 50.03 2.54 1.8232 4 4 0 4 50.18 2.09 1.8180 7 1 0 4 51.65 1.45 1.7696 -1 2 3 4 51.95 2.34 1.7601 0 4 2 4 52.32 1.53 1.7485 -3 1 3 4 52.37 1.41 1.7469 -6 0 2 2 52.44 7.52 1.7449 -1 4 2 4 52.49 6.97 1.7434 1 4 2 4 52.52 1.16 1.7424 -4 4 1 4 52.54 1.49 1.7417 3 1 3 4 52.67 1.50 1.7379 6 0 2 2 53.53 20.82 1.7119 7 2 0 4 53.92 1.42 1.7003 2 5 0 4 54.39 1.39 1.6870 0 5 1 4 54.61 1.03 1.6807 5 4 0 4 54.70 6.97 1.6780 -4 0 3 2 54.86 7.77 1.6734 -6 3 1 4 54.98 6.07 1.6700 4 0 3 2 55.01 7.59 1.6694 6 3 1 4 55.79 1.08 1.6477 3 2 3 4 56.32 7.99 1.6335 -2 5 1 4 56.35 8.43 1.6326 -3 4 2 4 56.37 8.07 1.6323 2 5 1 4 56.49 7.74 1.6290 3 4 2 4 56.61 3.28 1.6257 8 0 0 2 56.66 12.02 1.6245 -5 3 2 4 56.69 1.48 1.6238 -6 2 2 4 56.89 11.72 1.6184 5 3 2 4 56.96 1.76 1.6166 6 2 2 4 57.05 1.63 1.6142 -1 3 3 4 57.12 2.32 1.6124 1 3 3 4 57.66 1.68 1.5987 8 1 0 4 58.45 5.15 1.5790 -2 3 3 4 58.58 5.15 1.5757 2 3 3 4 58.90 3.07 1.5680 -4 2 3 4 59.17 3.26 1.5615 4 2 3 4 59.88 2.98 1.5448 6 4 0 4 59.89 1.38 1.5444 -8 1 1 4 60.07 1.13 1.5402 8 1 1 4 60.73 21.52 1.5251 8 2 0 4 61.80 22.00 1.5013 -6 3 2 4 62.06 22.16 1.4955 6 3 2 4 63.19 27.89 1.4714 -2 5 2 4 63.28 27.73 1.4696 2 5 2 4 63.36 2.34 1.4680 0 6 0 2 63.53 33.22 1.4645 0 0 4 2 63.81 5.27 1.4587 1 6 0 4 65.45 8.25 1.4260 9 1 0 4 65.52 6.13 1.4247 -8 0 2 2 65.76 4.80 1.4200 7 4 0 4 65.86 5.93 1.4182 8 0 2 2 67.34 4.44 1.3904 3 6 0 4 67.84 1.04 1.3815 -5 3 3 4 68.15 1.33 1.3759 5 3 3 4 68.45 1.58 1.3707 -4 5 2 4 68.62 1.41 1.3678 4 5 2 4 68.65 11.76 1.3671 6 5 0 4 69.45 1.67 1.3534 -3 6 1 4 69.51 1.36 1.3523 3 6 1 4 70.36 1.17 1.3380 -4 0 4 2 70.69 1.38 1.3326 4 0 4 2 70.71 1.49 1.3323 -6 5 1 4 70.83 1.57 1.3303 6 5 1 4 72.45 2.71 1.3045 -1 3 4 4 72.52 2.63 1.3035 -6 3 3 4 72.53 2.95 1.3033 1 3 4 4 72.88 2.64 1.2979 6 3 3 4 73.62 2.13 1.2866 10 1 0 4 73.67 6.25 1.2859 -2 3 4 4 73.83 6.82 1.2835 2 3 4 4 73.85 4.16 1.2832 -2 5 3 4 73.95 2.33 1.2818 -8 3 2 4 73.97 3.83 1.2814 2 5 3 4 74.05 1.58 1.2802 -4 2 4 4 74.27 2.25 1.2770 8 3 2 4 74.37 1.44 1.2755 4 2 4 4 75.04 1.67 1.2658 -5 1 4 4 75.44 1.36 1.2601 5 1 4 4 76.17 1.50 1.2497 -5 6 1 4 76.27 1.60 1.2484 5 6 1 4 76.35 5.99 1.2473 10 2 0 4 77.22 1.15 1.2354 2 7 0 4 78.73 1.70 1.2155 6 6 0 4 78.80 1.72 1.2146 -1 4 4 4 78.88 1.94 1.2136 1 4 4 4 79.99 1.29 1.1995 -2 4 4 4 80.14 1.06 1.1976 2 4 4 4 80.37 1.93 1.1947 8 5 0 4 80.94 3.64 1.1877 -9 3 2 4 81.30 3.65 1.1835 9 3 2 4 81.99 1.82 1.1752 -3 4 4 4 82.14 2.10 1.1735 4 7 0 4 82.22 2.05 1.1725 3 4 4 4 82.74 1.83 1.1665 -10 3 1 4 82.93 1.62 1.1642 10 3 1 4 85.70 1.11 1.1336 -3 6 3 4 85.88 1.31 1.1317 3 6 3 4 86.83 1.52 1.1217 -6 5 3 4 87.18 1.49 1.1181 6 5 3 4 87.43 3.56 1.1156 -7 2 4 4 87.97 3.54 1.1101 7 2 4 4 88.57 3.03 1.1041 -4 0 5 2 88.61 2.12 1.1037 -10 3 2 4 88.96 2.58 1.1003 4 0 5 2 89.00 2.11 1.0999 10 3 2 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.