Pautovite Mitchell R H, Ross K C, Potter E G Journal of Solid State Chemistry 177 (2004) 1867-1872 Crystal structures of CsFe2S3 and RbFe2S3: Synthetic analogs of rasvumite KFe2S3 Locality: synthetic _database_code_amcsd 0014041 CELL PARAMETERS: 9.5193 11.5826 5.4820 90.000 90.000 90.000 SPACE GROUP: Cmcm X-RAY WAVELENGTH: 1.541838 Cell Volume: 604.436 Density (g/cm3): 3.744 MAX. ABS. INTENSITY / VOLUME**2: 51.54366743 RIR: 4.482 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.03 11.56 7.3542 1 1 0 4 15.30 16.84 5.7913 0 2 0 2 18.64 8.91 4.7597 2 0 0 2 20.20 41.84 4.3952 1 1 1 8 22.33 13.85 3.9812 0 2 1 4 24.20 20.59 3.6771 2 2 0 4 24.89 64.03 3.5778 1 3 0 4 29.18 18.91 3.0603 3 1 0 4 29.24 100.00 3.0538 2 2 1 8 29.82 3.42 2.9962 1 3 1 8 32.67 4.81 2.7410 0 0 2 2 33.54 17.51 2.6722 3 1 1 8 34.93 20.76 2.5684 1 1 2 8 35.05 12.71 2.5604 0 4 1 4 36.26 18.17 2.4775 0 2 2 4 36.32 2.26 2.4738 2 4 0 4 37.80 3.11 2.3798 4 0 0 2 37.88 8.46 2.3753 2 0 2 4 39.98 5.84 2.2549 2 4 1 8 41.00 11.27 2.2012 4 2 0 4 41.07 2.24 2.1976 2 2 2 8 41.50 1.12 2.1759 1 3 2 8 43.46 5.94 2.0822 1 5 1 8 44.35 5.10 2.0427 4 2 1 8 44.37 5.14 2.0418 3 1 2 8 45.57 22.02 1.9906 0 4 2 4 47.08 5.54 1.9304 0 6 0 2 48.45 2.46 1.8787 5 1 0 4 48.67 12.90 1.8710 3 5 0 4 49.58 14.42 1.8386 4 4 0 4 49.91 20.07 1.8272 3 3 2 8 50.81 22.45 1.7970 4 0 2 4 51.06 3.48 1.7889 2 6 0 4 51.42 1.95 1.7772 5 1 1 8 51.53 3.04 1.7734 1 1 3 8 51.62 3.85 1.7707 3 5 1 8 52.50 6.44 1.7431 4 4 1 8 52.51 1.23 1.7426 0 2 3 4 52.61 10.51 1.7395 1 5 2 8 53.38 1.36 1.7163 4 2 2 8 53.68 1.57 1.7075 5 3 0 4 53.91 1.50 1.7006 2 6 1 8 56.21 11.61 1.6364 2 2 3 8 56.44 1.10 1.6303 5 3 1 8 58.14 2.32 1.5866 6 0 0 2 58.86 2.82 1.5689 3 1 3 8 59.12 5.72 1.5626 1 7 1 8 59.85 2.12 1.5454 0 4 3 4 61.94 6.87 1.4981 2 6 2 8 63.08 6.60 1.4738 6 2 1 8 63.27 1.28 1.4698 2 4 3 8 63.40 2.34 1.4672 3 7 0 4 64.27 4.59 1.4493 5 3 2 8 65.73 1.26 1.4206 5 5 1 8 65.83 1.43 1.4187 1 5 3 8 65.90 2.51 1.4173 3 7 1 8 66.50 1.27 1.4060 4 2 3 8 66.76 2.41 1.4011 1 7 2 8 66.83 1.55 1.3998 0 8 1 4 68.46 4.32 1.3705 0 0 4 2 69.73 1.05 1.3486 6 4 1 8 70.48 2.84 1.3361 6 2 2 8 71.76 4.84 1.3153 4 6 2 8 72.01 1.79 1.3114 7 1 1 8 72.27 1.17 1.3073 3 5 3 8 73.00 1.99 1.2961 4 4 3 8 73.78 1.18 1.2842 2 2 4 8 73.89 2.61 1.2827 7 3 0 4 74.05 1.01 1.2802 0 8 2 4 74.08 4.13 1.2798 1 3 4 8 74.38 2.85 1.2754 1 9 0 4 76.10 1.83 1.2508 3 1 4 8 76.83 1.47 1.2407 6 4 2 8 77.95 2.25 1.2257 6 6 0 4 78.56 2.93 1.2177 5 7 1 8 78.65 2.09 1.2165 1 7 3 8 79.04 1.48 1.2115 7 1 2 8 79.42 1.57 1.2066 4 8 1 8 80.76 1.57 1.1899 8 0 0 2 82.16 2.64 1.1732 6 2 3 8 83.00 2.08 1.1634 4 2 4 8 84.73 1.07 1.1440 3 7 3 8 87.24 1.38 1.1175 0 6 4 4 88.42 3.37 1.1056 3 5 4 8 89.11 3.91 1.0988 4 4 4 8 89.65 5.17 1.0936 3 9 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.