Fe K S2 Bronger W, Kyas A, Muller P Journal of Solid State Chemistry 70 (1987) 262-270 The antiferromagnetic structures of KFeS2, RbFeS2, KFeSe2, and RbFeSe2 and the correlation between magnetic moments and crystal field calculations _cod_database_code 1008695 _database_code_amcsd 0016581 CELL PARAMETERS: 7.0820 11.3290 5.4030 90.000 113.200 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 398.439 Density (g/cm3): 2.651 MAX. ABS. INTENSITY / VOLUME**2: 20.38514589 RIR: 2.503 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.64 72.14 5.6645 0 2 0 2 15.70 100.00 5.6440 1 1 0 4 19.36 5.02 4.5851 -1 1 1 4 27.30 58.25 3.2664 1 3 0 4 27.40 11.77 3.2547 2 0 0 2 27.68 42.37 3.2222 1 1 1 4 30.63 65.80 2.9189 -2 2 1 4 31.59 4.23 2.8323 0 4 0 2 31.71 9.95 2.8220 2 2 0 4 35.76 21.79 2.5107 1 3 1 4 35.82 5.54 2.5070 -2 0 2 2 36.18 18.00 2.4830 0 0 2 2 36.52 4.83 2.4603 0 4 1 4 39.30 5.40 2.2925 -2 2 2 4 39.63 7.63 2.2741 0 2 2 4 41.08 37.91 2.1970 -1 3 2 4 41.87 2.84 2.1573 2 2 1 4 42.23 5.04 2.1399 1 5 0 4 42.30 9.87 2.1365 2 4 0 4 43.85 1.42 2.0648 -1 5 1 4 44.00 6.06 2.0578 -3 1 2 4 44.61 12.72 2.0314 1 1 2 4 48.19 1.55 1.8882 0 6 0 2 48.38 21.75 1.8813 3 3 0 4 48.45 3.54 1.8788 1 5 1 4 48.49 6.49 1.8772 -2 4 2 4 48.77 1.04 1.8671 0 4 2 4 49.82 9.05 1.8304 -3 3 2 4 50.37 5.71 1.8117 1 3 2 4 52.73 17.76 1.7360 -1 5 2 4 53.79 1.15 1.7043 -2 2 3 4 53.83 13.18 1.7030 -4 0 2 2 54.61 10.05 1.6805 2 0 2 2 55.58 4.02 1.6535 -3 1 3 4 55.66 6.87 1.6514 -2 6 1 4 56.33 9.75 1.6332 2 6 0 4 56.42 3.73 1.6308 -4 2 2 4 56.55 3.83 1.6273 4 0 0 2 57.18 3.21 1.6111 2 2 2 4 58.05 4.96 1.5889 0 2 3 4 58.94 11.97 1.5671 3 5 0 4 59.06 2.03 1.5641 4 2 0 4 60.20 1.52 1.5373 -3 5 2 4 60.58 3.40 1.5284 -3 3 3 4 61.48 7.12 1.5083 -2 6 2 4 61.72 4.15 1.5030 0 6 2 4 63.83 1.79 1.4582 1 7 1 4 65.97 4.09 1.4161 0 8 0 2 67.27 1.53 1.3917 -5 1 2 4 67.29 2.00 1.3914 -5 1 1 4 68.96 1.12 1.3618 0 8 1 4 69.51 2.58 1.3523 4 2 1 4 69.61 4.10 1.3506 -2 0 4 2 71.65 2.57 1.3171 -3 1 4 4 71.81 2.26 1.3146 -5 3 2 4 71.82 1.88 1.3144 -5 3 1 4 71.86 1.42 1.3138 -2 2 4 4 72.69 3.54 1.3008 3 3 2 4 73.18 2.36 1.2934 5 1 0 4 75.90 1.32 1.2535 -4 0 4 2 76.07 1.18 1.2512 -3 3 4 4 76.51 2.98 1.2451 -1 3 4 4 76.54 1.52 1.2447 0 6 3 4 77.19 2.25 1.2359 1 9 0 4 77.42 1.83 1.2327 4 6 0 4 77.57 1.11 1.2308 5 3 0 4 77.61 1.89 1.2301 0 8 2 4 81.41 1.95 1.1821 3 5 2 4 85.12 1.73 1.1399 -1 5 4 4 85.37 1.64 1.1371 0 4 4 4 86.92 1.04 1.1207 4 6 1 4 88.65 2.61 1.1033 -5 3 4 4 89.91 1.91 1.0911 1 3 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.