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 1008339 _database_code_amcsd 0016250 CELL PARAMETERS: 7.2230 11.7250 5.4300 90.000 112.000 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 426.379 Density (g/cm3): 3.200 MAX. ABS. INTENSITY / VOLUME**2: 25.74614219 RIR: 2.620 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.11 38.81 5.8625 0 2 0 2 15.24 19.55 5.8153 1 1 0 4 19.20 24.86 4.6224 -1 1 1 4 23.29 17.68 3.8195 0 2 1 4 26.40 100.00 3.3756 1 3 0 4 26.62 27.21 3.3485 2 0 0 2 26.93 67.11 3.3106 1 1 1 4 30.08 94.13 2.9710 -2 2 1 4 30.50 11.50 2.9313 0 4 0 2 30.75 3.03 2.9076 2 2 0 4 33.89 5.86 2.6450 -1 1 2 4 34.68 22.53 2.5869 1 3 1 4 35.44 7.73 2.5332 0 4 1 4 35.67 19.77 2.5173 0 0 2 2 35.70 18.35 2.5149 -2 0 2 2 38.26 7.39 2.3523 -3 1 1 4 38.94 2.30 2.3131 0 2 2 4 38.97 2.16 2.3112 -2 2 2 4 40.45 47.07 2.2298 -1 3 2 4 40.56 9.98 2.2240 2 2 1 4 40.77 4.44 2.2132 1 5 0 4 40.92 1.21 2.2056 2 4 0 4 41.16 2.27 2.1930 3 1 0 4 42.54 9.82 2.1254 -1 5 1 4 43.58 2.85 2.0769 1 1 2 4 43.64 2.54 2.0742 -3 1 2 4 46.47 3.17 1.9542 0 6 0 2 46.84 10.55 1.9396 1 5 1 4 46.87 27.57 1.9384 3 3 0 4 49.01 1.47 1.8587 2 4 1 4 49.06 12.57 1.8569 1 3 2 4 49.11 12.79 1.8550 -3 3 2 4 51.49 13.89 1.7747 -1 5 2 4 51.53 1.36 1.7734 -1 1 3 4 53.08 13.55 1.7255 2 0 2 2 53.15 13.74 1.7232 -4 0 2 2 53.43 1.81 1.7149 -2 2 3 4 53.94 6.75 1.6999 -2 6 1 4 54.36 13.43 1.6878 2 6 0 4 54.71 4.46 1.6776 -3 5 1 4 54.83 6.72 1.6743 4 0 0 2 55.35 6.22 1.6597 -3 1 3 4 55.52 1.59 1.6553 2 2 2 4 55.59 1.61 1.6532 -4 2 2 4 56.95 8.70 1.6169 3 5 0 4 57.09 10.36 1.6134 0 2 3 4 59.92 7.34 1.5436 0 6 2 4 59.95 7.63 1.5431 -2 6 2 4 60.04 3.21 1.5408 -3 3 3 4 60.24 1.55 1.5363 -4 4 1 4 60.52 1.08 1.5298 -2 4 3 4 61.12 1.01 1.5163 2 6 1 4 61.54 1.39 1.5069 1 7 1 4 62.38 1.41 1.4886 1 1 3 4 62.46 1.44 1.4870 2 4 2 4 62.53 1.51 1.4855 -4 4 2 4 63.47 3.49 1.4656 0 8 0 2 64.13 1.68 1.4521 -4 2 3 4 65.22 1.85 1.4306 3 5 1 4 65.51 1.97 1.4249 -1 5 3 4 65.55 2.80 1.4242 -5 1 1 4 66.44 3.30 1.4072 0 8 1 4 67.12 4.70 1.3946 4 2 1 4 68.84 2.48 1.3639 -3 5 3 4 69.21 5.28 1.3575 -2 0 4 2 69.83 1.38 1.3469 -5 3 1 4 70.08 1.48 1.3426 2 8 0 4 70.27 4.58 1.3396 3 3 2 4 70.36 4.43 1.3381 -5 3 2 4 73.17 1.30 1.2934 2 6 2 4 73.24 1.25 1.2925 -4 6 2 4 74.15 2.25 1.2788 1 9 0 4 74.53 1.94 1.2732 0 6 3 4 74.65 2.40 1.2714 4 6 0 4 74.95 2.30 1.2671 5 3 0 4 74.98 1.60 1.2666 0 8 2 4 75.01 1.52 1.2663 -2 8 2 4 75.16 1.34 1.2640 1 5 3 4 75.36 1.17 1.2612 -1 9 1 4 75.46 2.98 1.2598 -1 3 4 4 75.50 2.81 1.2592 -3 3 4 4 76.06 1.22 1.2514 2 8 1 4 78.08 1.47 1.2239 -5 5 1 4 78.51 1.01 1.2184 3 5 2 4 82.94 1.27 1.1641 -6 2 1 4 83.56 1.08 1.1571 4 6 1 4 84.66 1.06 1.1448 3 1 3 4 85.33 1.71 1.1375 -4 8 1 4 85.58 1.24 1.1349 -2 8 3 4 86.29 1.98 1.1273 -6 2 3 4 87.28 2.06 1.1170 2 8 2 4 87.34 2.09 1.1164 -4 8 2 4 87.37 1.81 1.1162 6 0 0 2 87.72 2.70 1.1126 1 3 4 4 87.85 2.75 1.1113 -5 3 4 4 88.12 1.85 1.1086 1 9 2 4 88.16 1.76 1.1081 -3 9 2 4 88.70 1.20 1.1028 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.