Fe K S2 Bronger W, Kyas A, Muller P Journal of Solid State Chemistry 70 (1987) 262-270 The antiferromagnetic structures of K Fe S2, Rb Fe S2, K Fe Se2, and Rb Fe Se2 and the correlation between magnetic moments and crystal field calculations _cod_database_code 1008340 _database_code_amcsd 0016251 CELL PARAMETERS: 7.0280 11.2010 5.3880 90.000 113.300 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 389.556 Density (g/cm3): 2.712 MAX. ABS. INTENSITY / VOLUME**2: 18.94868131 RIR: 2.275 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.82 56.96 5.6005 0 2 0 2 15.85 100.00 5.5927 1 1 0 4 19.46 3.15 4.5624 -1 1 1 4 27.60 68.05 3.2319 1 3 0 4 27.64 9.85 3.2274 2 0 0 2 27.87 47.91 3.2014 1 1 1 4 29.88 1.48 2.9907 -1 3 1 4 30.87 73.90 2.8966 -2 2 1 4 31.96 4.26 2.8003 0 4 0 2 32.01 10.02 2.7963 2 2 0 4 35.95 8.20 2.4978 -2 0 2 2 36.08 15.44 2.4896 1 3 1 4 36.31 19.70 2.4743 0 0 2 2 36.88 4.35 2.4371 0 4 1 4 39.33 1.86 2.2910 -3 1 1 4 39.50 6.02 2.2812 -2 2 2 4 39.83 7.13 2.2633 0 2 2 4 41.33 48.54 2.1845 -1 3 2 4 42.22 5.24 2.1405 2 2 1 4 42.72 4.37 2.1164 1 5 0 4 42.75 15.34 2.1151 2 4 0 4 44.25 9.70 2.0467 -3 1 2 4 44.31 1.62 2.0441 -1 5 1 4 44.85 14.58 2.0209 1 1 2 4 48.78 3.67 1.8668 0 6 0 2 48.85 25.47 1.8642 3 3 0 4 48.86 6.86 1.8640 -2 4 2 4 48.96 6.90 1.8606 1 5 1 4 49.14 1.63 1.8542 0 4 2 4 50.17 8.26 1.8182 -3 3 2 4 50.72 5.54 1.8001 1 3 2 4 53.18 15.71 1.7224 -1 5 2 4 54.20 13.96 1.6922 -4 0 2 2 54.97 10.10 1.6704 2 0 2 2 55.81 5.07 1.6471 -3 1 3 4 56.28 5.90 1.6346 -2 6 1 4 56.84 3.04 1.6199 -4 2 2 4 56.90 1.05 1.6184 -3 5 1 4 56.99 11.03 1.6160 2 6 0 4 57.07 6.00 1.6137 4 0 0 2 57.47 1.15 1.6034 -1 3 3 4 57.58 2.65 1.6007 2 2 2 4 58.31 5.85 1.5823 0 2 3 4 58.59 1.44 1.5755 3 3 1 4 59.58 9.21 1.5518 3 5 0 4 59.63 2.09 1.5506 4 2 0 4 60.92 2.85 1.5208 -3 3 3 4 62.07 7.30 1.4953 -2 6 2 4 62.30 5.53 1.4902 0 6 2 4 64.10 1.24 1.4528 1 1 3 4 64.58 1.26 1.4431 1 7 1 4 66.82 4.27 1.4001 0 8 0 2 67.92 1.76 1.3801 -5 1 1 4 69.81 1.51 1.3472 0 8 1 4 69.83 5.02 1.3469 -2 0 4 2 70.16 1.99 1.3413 4 2 1 4 70.46 1.90 1.3364 -3 5 3 4 71.92 2.45 1.3129 -3 1 4 4 72.13 1.27 1.3095 -2 2 4 4 72.44 3.38 1.3047 -5 3 2 4 73.31 4.79 1.2913 3 3 2 4 73.90 2.87 1.2825 5 1 0 4 75.89 1.43 1.2538 -4 6 2 4 76.43 1.36 1.2462 -3 3 4 4 76.53 1.73 1.2448 2 6 2 4 76.86 3.36 1.2403 -1 3 4 4 77.17 1.27 1.2361 0 6 3 4 78.22 3.09 1.2220 1 9 0 4 78.32 2.02 1.2208 4 6 0 4 78.49 1.41 1.2186 0 8 2 4 80.87 1.04 1.1886 -1 7 3 4 81.83 1.23 1.1771 3 7 1 4 82.21 2.14 1.1727 3 5 2 4 85.66 1.28 1.1340 -1 5 4 4 85.88 2.12 1.1316 0 4 4 4 89.22 3.45 1.0978 -5 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.