Pyrrhotite Powell A V, Vaqueiro P, Knight K S, Chapon L C, Sanchez R D Physical Review B70 (2004) 014415-12 Structure and magnetism in synthetic pyrrhotite Fe7S8: A powder neutron-diffraction study Note: T = 11 K Locality: Synthetic _database_code_amcsd 0020604 CELL PARAMETERS: 11.8656 6.8482 12.8958 90.000 118.075 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 924.584 Density (g/cm3): 4.650 MAX. ABS. INTENSITY / VOLUME**2: 23.49902943 RIR: 1.645 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.42 16.38 5.7478 -1 1 1 4 15.46 2.96 5.7310 1 1 0 4 15.58 13.14 5.6892 0 0 2 2 16.94 13.22 5.2347 2 0 0 2 18.94 10.91 4.6860 -1 1 2 4 19.05 3.01 4.6589 1 1 1 4 24.58 2.27 3.6212 -1 1 3 4 24.73 5.98 3.6004 1 1 2 4 26.27 1.50 3.3919 -3 1 2 4 26.36 2.86 3.3815 -3 1 1 4 27.20 3.97 3.2789 0 2 1 4 27.77 6.65 3.2130 -2 0 4 2 28.08 2.45 3.1783 2 0 2 2 28.48 2.76 3.1336 -3 1 3 4 28.71 1.23 3.1093 3 1 0 4 30.13 32.29 2.9662 -4 0 2 2 30.14 79.30 2.9656 -2 2 1 4 31.45 10.49 2.8446 0 0 4 2 31.46 4.29 2.8436 1 1 3 4 32.56 1.01 2.7503 -3 1 4 4 32.89 1.44 2.7231 3 1 1 4 33.92 11.37 2.6432 -4 0 4 2 34.01 54.04 2.6362 -2 2 3 4 34.18 24.91 2.6233 2 2 1 4 34.26 25.11 2.6174 4 0 0 2 35.31 7.47 2.5416 0 2 3 4 37.96 4.33 2.3702 -3 1 5 4 38.37 1.33 2.3457 3 1 2 4 38.63 1.24 2.3310 -1 1 5 4 40.44 2.98 2.2303 1 3 0 4 41.11 5.17 2.1959 -4 2 1 4 41.88 4.80 2.1568 -5 1 4 4 42.06 2.64 2.1484 1 3 1 4 43.83 42.28 2.0655 -4 0 6 2 43.98 90.41 2.0590 -2 2 5 4 44.25 81.73 2.0468 2 2 3 4 44.39 50.90 2.0409 4 0 2 2 45.04 3.76 2.0128 -1 3 3 4 45.29 3.31 2.0024 5 1 0 4 46.06 2.62 1.9706 -3 3 2 4 46.40 1.55 1.9570 -1 1 6 4 46.72 2.83 1.9443 -6 0 2 2 46.89 5.91 1.9377 -4 2 5 4 47.45 2.31 1.9159 -3 3 3 4 50.44 1.87 1.8094 3 3 1 4 51.36 1.15 1.7790 -3 1 7 4 51.89 3.89 1.7621 -6 0 6 2 53.51 66.11 1.7124 -6 2 3 4 53.52 33.89 1.7120 0 4 0 2 54.46 2.17 1.6847 3 3 2 4 54.76 1.16 1.6762 1 1 6 4 54.79 1.52 1.6755 1 3 4 4 57.35 3.61 1.6065 -4 0 8 2 57.53 3.22 1.6020 -2 2 7 4 57.87 9.34 1.5933 2 2 5 4 58.04 1.05 1.5891 4 0 4 2 58.71 2.51 1.5725 -2 0 8 2 60.01 1.17 1.5416 -7 1 1 4 62.64 3.36 1.4831 -8 0 4 2 62.65 4.75 1.4828 -4 4 2 4 63.08 1.14 1.4739 -6 2 7 4 63.17 1.17 1.4719 -1 1 8 4 63.41 1.47 1.4669 0 4 4 4 63.72 1.70 1.4604 6 2 1 4 64.77 2.45 1.4393 -8 0 6 2 64.89 3.25 1.4370 -4 4 4 4 65.10 4.40 1.4328 4 4 0 4 65.20 1.84 1.4310 -8 0 2 2 65.64 15.21 1.4223 0 0 8 2 69.67 1.69 1.3495 -8 2 3 4 71.36 2.13 1.3217 -4 2 9 4 71.37 5.67 1.3216 -8 0 8 2 71.59 13.07 1.3181 -4 4 6 4 71.99 16.17 1.3117 4 4 2 4 72.18 5.80 1.3087 8 0 0 2 72.31 1.03 1.3067 3 3 5 4 73.50 1.85 1.2885 -4 0 10 2 73.70 1.53 1.2855 -8 2 7 4 73.70 2.71 1.2854 -2 2 9 4 74.10 5.21 1.2794 2 2 7 4 74.30 1.42 1.2765 4 0 6 2 77.78 1.49 1.2279 -6 4 6 4 82.30 1.76 1.1715 -4 4 8 4 83.17 1.47 1.1615 8 0 2 2 83.47 1.24 1.1581 -2 4 8 4 86.92 1.32 1.1208 -2 6 1 4 88.97 1.44 1.1001 -2 6 3 4 89.07 1.78 1.0992 2 6 1 4 89.60 9.96 1.0940 0 4 8 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.