Fe Rb 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 1008342 _database_code_amcsd 0016253 CELL PARAMETERS: 7.1890 11.6190 5.4350 90.000 112.200 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 420.327 Density (g/cm3): 3.246 MAX. ABS. INTENSITY / VOLUME**2: 26.04908692 RIR: 2.613 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.25 32.61 5.8095 0 2 0 2 15.34 20.64 5.7755 1 1 0 4 19.22 19.38 4.6172 -1 1 1 4 23.39 24.81 3.8036 0 2 1 4 26.63 100.00 3.3475 1 3 0 4 26.79 28.26 3.3280 2 0 0 2 27.05 74.34 3.2963 1 1 1 4 30.21 92.18 2.9581 -2 2 1 4 30.78 12.25 2.9048 0 4 0 2 30.97 3.38 2.8878 2 2 0 4 33.88 5.25 2.6461 -1 1 2 4 34.90 23.77 2.5710 1 3 1 4 35.68 14.61 2.5161 0 0 2 2 35.69 26.94 2.5157 -2 0 2 2 35.69 7.76 2.5157 0 4 1 4 38.44 9.75 2.3417 -3 1 1 4 39.01 1.90 2.3088 0 2 2 4 39.02 2.85 2.3086 -2 2 2 4 40.55 52.51 2.2245 -1 3 2 4 40.81 6.90 2.2112 2 2 1 4 41.14 4.04 2.1939 1 5 0 4 41.25 1.57 2.1884 2 4 0 4 41.43 2.35 2.1793 3 1 0 4 42.87 7.75 2.1097 -1 5 1 4 43.70 1.51 2.0714 1 1 2 4 43.71 4.08 2.0710 -3 1 2 4 44.54 1.33 2.0344 -3 3 1 4 46.92 4.30 1.9365 0 6 0 2 47.21 12.12 1.9252 1 5 1 4 47.21 31.32 1.9252 3 3 0 4 49.27 15.00 1.8496 1 3 2 4 49.27 12.04 1.8493 -3 3 2 4 49.37 2.43 1.8461 2 4 1 4 50.50 1.20 1.8073 0 6 1 4 51.51 3.19 1.7741 -1 1 3 4 51.51 1.11 1.7741 3 1 1 4 51.76 13.58 1.7661 -1 5 2 4 53.30 16.04 1.7188 2 0 2 2 53.31 13.70 1.7185 -4 0 2 2 54.38 8.27 1.6871 -2 6 1 4 54.85 14.09 1.6738 2 6 0 4 55.11 4.58 1.6664 -3 5 1 4 55.20 7.10 1.6640 4 0 0 2 55.35 6.32 1.6600 -3 1 3 4 55.78 1.59 1.6482 2 2 2 4 55.79 1.41 1.6479 -4 2 2 4 57.16 11.64 1.6115 0 2 3 4 57.42 9.05 1.6047 3 5 0 4 58.56 1.57 1.5763 -1 7 1 4 60.12 2.76 1.5391 -3 3 3 4 60.31 9.63 1.5346 0 6 2 4 60.32 7.20 1.5345 -2 6 2 4 60.64 1.85 1.5270 -2 4 3 4 60.65 1.91 1.5269 -4 4 1 4 62.10 1.14 1.4947 1 7 1 4 62.82 2.09 1.4792 2 4 2 4 62.83 1.32 1.4790 -4 4 2 4 64.12 4.21 1.4524 0 8 0 2 64.22 3.73 1.4503 -4 2 3 4 65.73 2.28 1.4206 -1 5 3 4 65.73 1.64 1.4206 3 5 1 4 65.95 3.16 1.4165 -5 1 1 4 67.07 2.74 1.3954 0 8 1 4 67.59 5.94 1.3861 4 2 1 4 69.06 2.86 1.3600 -3 5 3 4 69.13 5.64 1.3587 -2 0 4 2 70.30 1.42 1.3391 -5 3 1 4 70.69 4.52 1.3326 3 3 2 4 70.70 5.93 1.3324 -5 3 2 4 70.78 1.23 1.3311 2 8 0 4 73.70 1.69 1.2855 2 6 2 4 73.71 2.05 1.2853 -4 6 2 4 74.90 2.76 1.2679 0 6 3 4 74.93 3.02 1.2674 1 9 0 4 75.30 3.03 1.2621 4 6 0 4 75.51 2.65 1.2590 -1 3 4 4 75.51 1.09 1.2590 1 5 3 4 75.52 4.49 1.2590 -3 3 4 4 75.52 2.50 1.2589 5 3 0 4 75.58 1.85 1.2580 0 0 4 2 75.60 1.08 1.2579 0 8 2 4 75.60 2.04 1.2578 -2 8 2 4 76.12 1.33 1.2505 -1 9 1 4 76.78 1.54 1.2413 2 8 1 4 78.68 1.77 1.2161 -5 5 1 4 79.07 1.54 1.2111 -5 5 2 4 83.52 1.74 1.1575 -6 2 1 4 83.73 1.11 1.1551 -3 5 4 4 84.29 1.76 1.1489 4 6 1 4 85.07 1.70 1.1403 3 1 3 4 86.12 1.77 1.1291 -2 8 3 4 86.13 1.85 1.1291 -4 8 1 4 86.61 1.70 1.1240 -6 2 3 4 87.75 1.09 1.1123 -2 6 4 4 87.96 3.78 1.1102 1 3 4 4 87.98 3.13 1.1100 -5 3 4 4 88.04 2.96 1.1094 2 8 2 4 88.04 2.34 1.1093 6 0 0 2 88.05 2.50 1.1093 -4 8 2 4 88.93 1.99 1.1005 1 9 2 4 88.94 2.99 1.1005 -3 9 2 4 89.11 1.02 1.0988 3 3 3 4 89.59 1.34 1.0942 4 8 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.