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 1008341 _database_code_amcsd 0016252 CELL PARAMETERS: 7.2450 11.7620 5.4550 90.000 112.000 90.000 SPACE GROUP: C2/c X-RAY WAVELENGTH: 1.541838 Cell Volume: 431.003 Density (g/cm3): 3.166 MAX. ABS. INTENSITY / VOLUME**2: 27.78284142 RIR: 2.858 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.06 38.93 5.8810 0 2 0 2 15.19 11.31 5.8332 1 1 0 4 19.12 20.84 4.6409 -1 1 1 4 23.20 14.87 3.8347 0 2 1 4 26.32 100.00 3.3861 1 3 0 4 26.54 20.55 3.3587 2 0 0 2 26.82 61.40 3.3235 1 1 1 4 29.98 81.13 2.9808 -2 2 1 4 30.40 10.12 2.9405 0 4 0 2 30.65 1.95 2.9166 2 2 0 4 33.73 5.88 2.6570 -1 1 2 4 34.55 22.40 2.5962 1 3 1 4 35.31 9.51 2.5421 0 4 1 4 35.50 19.35 2.5289 0 0 2 2 35.55 21.55 2.5254 -2 0 2 2 38.14 10.91 2.3595 -3 1 1 4 38.76 2.12 2.3232 0 2 2 4 38.81 2.37 2.3205 -2 2 2 4 40.28 44.00 2.2390 -1 3 2 4 40.41 13.32 2.2319 2 2 1 4 40.64 5.33 2.2202 1 5 0 4 40.79 1.82 2.2124 2 4 0 4 41.03 1.24 2.1996 3 1 0 4 42.39 9.19 2.1324 -1 5 1 4 43.38 3.49 2.0858 1 1 2 4 43.47 3.87 2.0818 -3 1 2 4 44.13 2.41 2.0522 -3 3 1 4 46.31 2.72 1.9603 0 6 0 2 46.67 8.33 1.9462 1 5 1 4 46.72 24.75 1.9444 3 3 0 4 48.83 1.23 1.8650 2 4 1 4 48.85 12.60 1.8644 1 3 2 4 48.93 12.26 1.8616 -3 3 2 4 49.89 1.11 1.8278 0 6 1 4 51.28 1.61 1.7816 -1 1 3 4 51.29 14.15 1.7814 -1 5 2 4 52.85 12.52 1.7324 2 0 2 2 52.96 11.77 1.7290 -4 0 2 2 53.18 1.10 1.7224 -2 2 3 4 53.75 6.50 1.7054 -2 6 1 4 54.17 15.78 1.6931 2 6 0 4 54.53 4.35 1.6829 -3 5 1 4 54.65 9.54 1.6794 4 0 0 2 55.11 5.95 1.6666 -3 1 3 4 55.28 1.58 1.6618 2 2 2 4 55.39 1.49 1.6588 -4 2 2 4 56.76 7.33 1.6219 3 5 0 4 56.81 10.31 1.6206 0 2 3 4 57.03 1.22 1.6148 4 2 0 4 57.83 1.11 1.5944 -1 7 1 4 59.68 7.77 1.5493 0 6 2 4 59.71 7.16 1.5485 -2 6 2 4 59.78 3.24 1.5470 -3 3 3 4 60.04 2.36 1.5410 -4 4 1 4 60.25 1.70 1.5361 -2 4 3 4 60.89 1.80 1.5213 2 6 1 4 61.32 1.02 1.5119 1 7 1 4 62.08 1.81 1.4951 1 1 3 4 62.20 1.09 1.4926 2 4 2 4 63.25 3.22 1.4703 0 8 0 2 63.86 3.14 1.4576 -4 2 3 4 64.97 1.93 1.4353 3 5 1 4 65.21 2.04 1.4307 -1 5 3 4 65.33 2.01 1.4284 -5 1 1 4 66.19 3.33 1.4118 0 8 1 4 66.87 3.26 1.3992 4 2 1 4 68.54 2.09 1.3691 -3 5 3 4 68.85 5.71 1.3637 -2 0 4 2 69.83 1.61 1.3469 2 8 0 4 69.97 5.46 1.3445 3 3 2 4 70.10 5.60 1.3424 -5 3 2 4 72.87 1.47 1.2981 2 6 2 4 72.96 1.60 1.2967 -4 6 2 4 73.88 2.20 1.2828 1 9 0 4 74.19 2.14 1.2782 0 6 3 4 74.38 1.74 1.2754 4 6 0 4 74.68 1.83 1.2710 0 8 2 4 74.68 2.60 1.2709 5 3 0 4 74.71 1.95 1.2706 -2 8 2 4 74.81 1.36 1.2691 1 5 3 4 75.06 3.22 1.2654 -1 3 4 4 75.08 1.83 1.2652 -1 9 1 4 75.13 3.47 1.2646 -3 3 4 4 77.80 1.24 1.2276 -5 5 1 4 78.17 1.82 1.2228 3 5 2 4 78.29 2.04 1.2212 -5 5 2 4 81.06 1.43 1.1863 5 1 1 4 82.64 2.52 1.1676 -6 2 1 4 85.01 2.19 1.1410 -4 8 1 4 85.19 1.58 1.1390 -2 8 3 4 85.93 1.24 1.1311 -6 2 3 4 86.90 1.97 1.1210 2 8 2 4 86.99 1.89 1.1200 -4 8 2 4 87.04 1.23 1.1196 6 0 0 2 87.25 2.92 1.1174 1 3 4 4 87.43 2.76 1.1156 -5 3 4 4 87.74 2.29 1.1124 1 9 2 4 87.80 2.39 1.1118 -3 9 2 4 88.36 1.69 1.1062 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.