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 = 298 K Locality: Synthetic _database_code_amcsd 0020605 CELL PARAMETERS: 11.9258 6.8822 12.9245 90.000 118.015 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 936.490 Density (g/cm3): 4.591 MAX. ABS. INTENSITY / VOLUME**2: 22.01057876 RIR: 1.561 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.35 14.90 5.7739 -1 1 1 4 15.38 4.59 5.7606 1 1 0 4 15.53 8.14 5.7050 0 0 2 2 16.71 1.24 5.3052 -2 0 2 2 16.84 14.52 5.2642 2 0 0 2 18.87 13.21 4.7026 -1 1 2 4 18.96 1.14 4.6811 1 1 1 4 24.51 1.05 3.6321 -1 1 3 4 24.62 7.41 3.6155 1 1 2 4 26.15 1.04 3.4078 -3 1 2 4 26.21 3.75 3.3996 -3 1 1 4 27.07 5.07 3.2945 0 2 1 4 27.70 5.37 3.2204 -2 0 4 2 27.94 1.78 3.1929 2 0 2 2 28.37 2.75 3.1457 -3 1 3 4 28.55 1.93 3.1264 3 1 0 4 29.97 39.48 2.9813 -4 0 2 2 29.98 78.22 2.9804 -2 2 1 4 31.21 1.99 2.8659 -1 1 4 4 31.34 4.29 2.8545 1 1 3 4 31.36 10.53 2.8525 0 0 4 2 32.45 1.80 2.7591 -3 1 4 4 32.71 2.24 2.7374 3 1 1 4 33.79 12.13 2.6526 -4 0 4 2 33.87 61.08 2.6468 -2 2 3 4 34.00 23.85 2.6365 2 2 1 4 34.06 30.60 2.6321 4 0 0 2 35.17 6.29 2.5517 0 2 3 4 37.85 3.81 2.3767 -3 1 5 4 38.18 1.93 2.3574 3 1 2 4 38.52 1.03 2.3372 -1 1 5 4 40.23 2.36 2.2415 1 3 0 4 40.88 5.72 2.2076 -4 2 1 4 41.70 4.29 2.1660 -5 1 4 4 41.84 3.29 2.1590 1 3 1 4 42.55 1.48 2.1246 2 0 4 2 43.71 49.64 2.0709 -4 0 6 2 43.83 93.09 2.0656 -2 2 5 4 44.05 100.00 2.0559 2 2 3 4 44.15 47.21 2.0514 4 0 2 2 44.84 3.63 2.0215 -1 3 3 4 45.02 4.36 2.0135 5 1 0 4 45.82 1.89 1.9802 -3 3 2 4 46.27 1.37 1.9622 -1 1 6 4 46.45 2.89 1.9549 -6 0 2 2 46.71 5.58 1.9447 -4 2 5 4 47.23 3.01 1.9246 -3 3 3 4 49.12 1.37 1.8549 -1 3 4 4 50.16 3.08 1.8186 3 3 1 4 51.69 3.26 1.7684 -6 0 6 2 53.22 73.52 1.7211 -6 2 3 4 53.24 36.36 1.7205 0 4 0 2 54.17 1.93 1.6931 3 3 2 4 54.57 1.80 1.6817 1 1 6 4 56.25 1.03 1.6354 2 4 0 4 56.87 1.03 1.6190 -7 1 5 4 57.21 4.47 1.6102 -4 0 8 2 57.35 4.47 1.6066 -2 2 7 4 57.62 8.91 1.5997 2 2 5 4 57.75 2.10 1.5965 4 0 4 2 58.57 1.96 1.5761 -2 0 8 2 62.28 2.92 1.4907 -8 0 4 2 62.31 5.68 1.4902 -4 4 2 4 62.83 1.23 1.4790 -6 2 7 4 62.99 1.11 1.4758 -1 1 8 4 63.10 1.33 1.4733 0 4 4 4 63.34 1.57 1.4683 6 2 1 4 64.46 2.96 1.4456 -8 0 6 2 64.56 3.61 1.4435 -4 4 4 4 64.73 5.72 1.4402 4 4 0 4 64.79 1.66 1.4389 -8 0 2 2 65.44 18.18 1.4263 0 0 8 2 69.25 1.77 1.3567 -8 2 3 4 69.77 1.06 1.3479 -7 3 5 4 71.08 7.20 1.3263 -8 0 8 2 71.15 1.49 1.3252 -4 2 9 4 71.26 15.56 1.3234 -4 4 6 4 71.58 14.90 1.3183 4 4 2 4 71.72 8.28 1.3160 8 0 0 2 72.26 1.07 1.3074 -7 3 1 4 73.29 1.10 1.2916 -6 4 2 4 73.31 1.59 1.2914 -4 0 10 2 73.35 1.39 1.2907 -8 2 7 4 73.47 4.23 1.2889 -2 2 9 4 73.79 3.56 1.2842 2 2 7 4 73.94 2.35 1.2819 4 0 6 2 77.39 1.40 1.2332 -6 4 6 4 81.95 2.29 1.1757 -4 4 8 4 82.41 1.84 1.1703 4 4 4 4 82.54 1.07 1.1688 8 2 1 4 82.62 1.22 1.1678 8 0 2 2 83.11 1.08 1.1622 -2 4 8 4 86.38 1.16 1.1264 -2 6 1 4 88.44 1.83 1.1054 -2 6 3 4 88.51 1.85 1.1047 2 6 1 4 89.19 12.14 1.0980 0 4 8 4 89.63 12.75 1.0938 6 2 5 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.