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 1008338 _database_code_amcsd 0016249 CELL PARAMETERS: 7.0840 11.3030 5.3940 90.000 113.200 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 396.975 Density (g/cm3): 2.661 MAX. ABS. INTENSITY / VOLUME**2: 18.22363000 RIR: 2.230 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.68 76.14 5.6515 0 2 0 2 15.71 100.00 5.6420 1 1 0 4 19.38 1.20 4.5791 -1 1 1 4 27.35 66.59 3.2611 1 3 0 4 27.40 10.24 3.2556 2 0 0 2 27.71 44.77 3.2190 1 1 1 4 29.67 2.24 3.0109 -1 3 1 4 30.65 74.01 2.9169 -2 2 1 4 31.66 4.39 2.8258 0 4 0 2 31.72 10.11 2.8210 2 2 0 4 34.18 1.11 2.6231 -1 1 2 4 35.82 18.99 2.5069 1 3 1 4 35.86 10.42 2.5043 -2 0 2 2 36.24 14.31 2.4789 0 0 2 2 36.60 2.85 2.4550 0 4 1 4 39.01 1.87 2.3089 -3 1 1 4 39.35 6.58 2.2895 -2 2 2 4 39.70 7.12 2.2701 0 2 2 4 41.16 41.75 2.1929 -1 3 2 4 41.90 3.90 2.1559 2 2 1 4 42.32 5.65 2.1356 1 5 0 4 42.35 12.47 2.1340 2 4 0 4 43.94 2.33 2.0604 -1 5 1 4 44.03 10.78 2.0567 -3 1 2 4 44.67 12.33 2.0288 1 1 2 4 48.31 1.84 1.8838 0 6 0 2 48.40 21.82 1.8807 3 3 0 4 48.55 5.54 1.8753 1 5 1 4 48.58 4.12 1.8742 -2 4 2 4 48.87 2.37 1.8635 0 4 2 4 49.87 7.19 1.8287 -3 3 2 4 50.45 6.11 1.8090 1 3 2 4 52.85 18.18 1.7324 -1 5 2 4 53.84 12.23 1.7028 -4 0 2 2 54.66 10.46 1.6790 2 0 2 2 55.65 4.06 1.6516 -3 1 3 4 55.77 4.72 1.6484 -2 6 1 4 56.38 1.33 1.6320 -3 5 1 4 56.43 10.31 1.6305 2 6 0 4 56.44 3.49 1.6304 -4 2 2 4 56.54 5.20 1.6278 4 0 0 2 57.24 3.17 1.6095 2 2 2 4 58.09 1.26 1.5878 3 3 1 4 58.16 6.69 1.5862 0 2 3 4 59.00 10.42 1.5656 3 5 0 4 59.06 2.23 1.5642 4 2 0 4 60.67 2.90 1.5264 -3 3 3 4 61.61 5.82 1.5054 -2 6 2 4 61.86 4.92 1.4999 0 6 2 4 63.98 2.49 1.4552 1 7 1 4 66.14 3.80 1.4129 0 8 0 2 67.27 1.30 1.3919 -5 1 1 4 69.13 1.62 1.3588 0 8 1 4 69.53 2.20 1.3521 4 2 1 4 69.74 4.70 1.3484 -2 0 4 2 70.07 1.29 1.3430 -3 5 3 4 71.77 1.48 1.3151 -3 1 4 4 71.82 3.03 1.3144 -5 3 2 4 72.00 1.43 1.3115 -2 2 4 4 72.76 3.30 1.2998 3 3 2 4 73.16 2.50 1.2937 5 1 0 4 76.21 1.51 1.2492 -3 3 4 4 76.67 2.02 1.2429 -1 3 4 4 76.71 1.21 1.2423 0 6 3 4 77.39 2.01 1.2332 1 9 0 4 77.50 1.39 1.2317 4 6 0 4 77.81 1.24 1.2275 0 8 2 4 80.61 1.22 1.1918 -5 5 2 4 81.51 1.63 1.1809 3 5 2 4 83.24 1.06 1.1607 -3 7 3 4 85.56 1.32 1.1351 0 4 4 4 88.75 2.30 1.1023 -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.