Ilvaite Ghose S, Hewat A W, Marezio M Physics and Chemistry of Minerals 11 (1984) 67-74 A neutron powder diffraction study of the crystal and magnetic structures of ilvaite from 305 K to 5 K - a mixed valence iron silicate with an electronic transition Sample: T = 80 K _database_code_amcsd 0007362 CELL PARAMETERS: 13.0230 8.7994 5.8422 90.000 90.231 90.000 SPACE GROUP: P2_1/a X-RAY WAVELENGTH: 1.541838 Cell Volume: 669.479 Density (g/cm3): 4.054 MAX. ABS. INTENSITY / VOLUME**2: 11.33508797 RIR: 0.911 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.14 100.00 7.2910 1 1 0 4 13.60 30.64 6.5114 2 0 0 2 18.23 9.10 4.8671 0 1 1 4 19.45 9.16 4.5641 -1 1 1 4 19.49 4.21 4.5541 1 1 1 4 20.46 1.20 4.3398 2 0 1 2 21.32 5.96 4.1682 1 2 0 4 22.77 3.43 3.9047 -2 1 1 4 22.84 26.67 3.8930 3 1 0 4 22.85 3.57 3.8922 2 1 1 4 26.25 2.58 3.3952 -1 2 1 4 26.28 4.53 3.3911 1 2 1 4 27.39 25.07 3.2557 4 0 0 2 27.49 1.57 3.2451 -3 1 1 4 27.58 3.81 3.2342 3 1 1 4 28.89 10.76 3.0901 3 2 0 4 30.61 6.43 2.9211 0 0 2 2 31.26 37.78 2.8615 1 3 0 4 31.40 49.47 2.8488 -4 0 1 2 31.51 48.56 2.8391 4 0 1 2 32.75 11.15 2.7348 -3 2 1 4 32.83 11.27 2.7283 3 2 1 4 33.01 54.20 2.7137 -1 1 2 4 33.06 44.84 2.7094 1 1 2 4 33.51 71.39 2.6743 2 3 0 4 34.21 1.53 2.6213 0 3 1 4 34.26 17.22 2.6171 4 2 0 4 34.90 2.54 2.5707 -1 3 1 4 34.93 4.96 2.5689 1 3 1 4 35.13 13.43 2.5543 -2 1 2 4 35.23 13.22 2.5472 2 1 2 4 35.96 10.14 2.4975 5 1 0 4 36.94 21.72 2.4336 0 2 2 4 36.94 20.81 2.4332 -2 3 1 4 36.99 15.18 2.4301 2 3 1 4 37.61 15.43 2.3913 -4 2 1 4 37.71 15.00 2.3855 4 2 1 4 38.46 15.49 2.3405 -3 1 2 4 38.60 18.93 2.3324 3 1 2 4 40.22 2.05 2.2421 3 3 1 4 41.03 1.57 2.1999 0 4 0 2 41.45 19.59 2.1786 -4 0 2 2 41.61 1.92 2.1705 6 0 0 2 41.62 18.14 2.1699 4 0 2 2 41.64 22.42 2.1691 1 4 0 4 42.53 5.38 2.1258 -3 2 2 4 42.65 5.12 2.1197 3 2 2 4 42.76 28.51 2.1147 -4 1 2 4 42.93 24.60 2.1068 4 1 2 4 43.42 12.73 2.0841 2 4 0 4 46.23 6.32 1.9638 -2 4 1 4 46.27 14.19 1.9623 3 4 0 4 46.27 3.77 1.9622 2 4 1 4 46.52 7.40 1.9524 -4 2 2 4 46.64 1.35 1.9476 5 3 0 4 46.66 1.56 1.9465 6 2 0 4 46.67 8.60 1.9461 4 2 2 4 47.83 13.61 1.9019 -5 1 2 4 47.84 3.47 1.9014 0 1 3 4 48.02 16.43 1.8946 5 1 2 4 49.28 1.05 1.8493 -5 3 1 4 49.29 2.07 1.8487 -6 2 1 4 49.37 2.34 1.8459 5 3 1 4 49.41 1.89 1.8447 6 2 1 4 50.04 2.21 1.8228 4 4 0 4 50.12 2.08 1.8202 7 1 0 4 51.79 1.11 1.7652 -1 2 3 4 52.04 1.19 1.7573 0 4 2 4 52.42 1.99 1.7456 -6 0 2 2 52.53 6.69 1.7420 -1 4 2 4 52.57 5.23 1.7409 1 4 2 4 52.63 2.20 1.7391 3 1 3 4 52.63 1.83 1.7389 4 4 1 4 53.48 18.48 1.7135 7 2 0 4 53.97 1.62 1.6989 2 5 0 4 54.09 1.03 1.6955 2 4 2 4 54.45 1.51 1.6851 0 5 1 4 54.83 4.75 1.6742 -4 0 3 2 54.87 6.59 1.6733 -6 3 1 4 54.97 5.38 1.6703 6 3 1 4 55.05 5.05 1.6683 4 0 3 2 55.72 1.16 1.6497 -3 2 3 4 56.38 7.05 1.6318 -2 5 1 4 56.42 6.70 1.6309 2 5 1 4 56.44 7.51 1.6302 -3 4 2 4 56.53 1.80 1.6279 8 0 0 2 56.55 7.18 1.6275 3 4 2 4 56.73 10.98 1.6227 -5 3 2 4 56.90 9.26 1.6182 5 3 2 4 56.94 1.60 1.6171 6 2 2 4 57.20 2.31 1.6106 -1 3 3 4 57.25 1.12 1.6093 1 3 3 4 57.58 1.56 1.6007 8 1 0 4 58.59 3.61 1.5755 -2 3 3 4 58.69 4.23 1.5730 2 3 3 4 59.03 2.15 1.5648 -4 2 3 4 59.24 3.64 1.5599 4 2 3 4 59.85 1.30 1.5454 -8 1 1 4 59.86 2.42 1.5450 6 4 0 4 59.98 1.09 1.5422 8 1 1 4 60.66 19.20 1.5267 8 2 0 4 61.85 18.34 1.5000 -6 3 2 4 62.05 19.98 1.4958 6 3 2 4 63.30 23.02 1.4693 -2 5 2 4 63.36 24.49 1.4679 2 5 2 4 63.43 2.14 1.4666 0 6 0 2 63.72 26.30 1.4605 0 0 4 2 63.87 4.29 1.4574 1 6 0 4 63.99 1.06 1.4551 5 4 2 4 64.04 1.18 1.4540 -4 3 3 4 65.17 1.65 1.4315 1 1 4 4 65.36 7.20 1.4278 9 1 0 4 65.53 4.82 1.4244 -8 0 2 2 65.56 1.08 1.4238 -2 4 3 4 65.73 4.08 1.4205 7 4 0 4 65.79 5.55 1.4195 8 0 2 2 67.40 3.47 1.3894 3 6 0 4 67.97 1.24 1.3792 -5 3 3 4 68.54 1.14 1.3691 -3 1 4 4 68.54 1.23 1.3690 -4 5 2 4 68.66 10.82 1.3670 6 5 0 4 68.67 1.42 1.3668 4 5 2 4 70.57 1.03 1.3346 -4 0 4 2 70.74 1.07 1.3318 -6 5 1 4 70.81 1.52 1.3306 4 0 4 2 70.83 1.29 1.3303 6 5 1 4 72.37 1.03 1.3057 0 5 3 4 72.49 1.04 1.3039 -4 6 1 4 72.64 1.41 1.3016 -6 3 3 4 72.66 2.79 1.3013 -1 3 4 4 72.72 1.45 1.3004 1 3 4 4 72.91 2.27 1.2974 6 3 3 4 73.51 2.12 1.2883 10 1 0 4 73.74 1.09 1.2848 -9 1 2 4 73.88 4.83 1.2827 -2 3 4 4 73.98 2.38 1.2813 -8 3 2 4 74.00 6.04 1.2809 2 3 4 4 74.01 3.25 1.2809 -2 5 3 4 74.10 2.95 1.2795 2 5 3 4 74.22 1.56 1.2778 8 3 2 4 74.26 1.77 1.2771 -4 2 4 4 74.50 1.16 1.2736 4 2 4 4 74.90 1.04 1.2678 -9 3 1 4 75.24 1.69 1.2629 -5 1 4 4 75.54 1.00 1.2587 5 1 4 4 76.25 5.31 1.2487 10 2 0 4 76.31 1.33 1.2479 5 6 1 4 77.31 1.46 1.2343 2 7 0 4 78.75 1.36 1.2152 6 6 0 4 79.01 1.55 1.2119 -1 4 4 4 79.07 1.94 1.2111 1 4 4 4 80.32 1.16 1.1953 2 4 4 4 80.35 1.77 1.1950 8 5 0 4 80.96 2.65 1.1875 -9 3 2 4 81.22 2.77 1.1843 9 3 2 4 82.20 1.68 1.1727 4 7 0 4 82.21 1.57 1.1726 -3 4 4 4 82.38 1.99 1.1706 3 4 4 4 82.68 1.15 1.1671 -10 3 1 4 82.83 1.34 1.1654 10 3 1 4 85.87 1.16 1.1317 -3 6 3 4 87.24 1.38 1.1175 6 5 3 4 87.62 2.71 1.1136 -7 2 4 4 88.03 2.48 1.1095 7 2 4 4 88.61 1.82 1.1037 -10 3 2 4 88.87 1.72 1.1012 -4 0 5 2 88.90 1.96 1.1008 10 3 2 4 89.16 1.92 1.0983 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.