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 0014045 CELL PARAMETERS: 9.4144 11.4632 5.4691 90.000 90.000 90.000 SPACE GROUP: Cmcm X-RAY WAVELENGTH: 1.541838 Cell Volume: 590.221 Density (g/cm3): 3.568 MAX. ABS. INTENSITY / VOLUME**2: 44.34257992 RIR: 4.047 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 12.17 18.46 7.2753 1 1 0 4 15.46 23.22 5.7316 0 2 0 2 18.85 5.03 4.7072 2 0 0 2 20.31 27.96 4.3716 1 1 1 8 22.47 9.86 3.9568 0 2 1 4 24.47 19.18 3.6377 2 2 0 4 25.15 58.48 3.5406 1 3 0 4 29.49 100.00 3.0289 2 2 1 8 29.51 17.09 3.0268 3 1 0 4 30.07 3.71 2.9721 1 3 1 8 32.75 4.26 2.7345 0 0 2 2 33.85 15.99 2.6483 3 1 1 8 35.06 20.71 2.5597 1 1 2 8 35.36 10.56 2.5384 0 4 1 4 36.40 18.83 2.4680 0 2 2 4 36.71 2.18 2.4478 2 4 0 4 38.06 7.60 2.3645 2 0 2 4 38.24 2.54 2.3536 4 0 0 2 40.37 5.32 2.2343 2 4 1 8 41.30 1.39 2.1858 2 2 2 8 41.48 10.93 2.1772 4 2 0 4 43.89 4.38 2.0630 1 5 1 8 44.66 7.37 2.0291 3 1 2 8 44.81 4.66 2.0228 4 2 1 8 45.87 24.10 1.9784 0 4 2 4 47.60 5.49 1.9105 0 6 0 2 49.03 2.32 1.8580 5 1 0 4 49.22 13.16 1.8512 3 5 0 4 50.16 14.31 1.8188 4 4 0 4 50.29 17.01 1.8144 3 3 2 8 51.21 21.12 1.7839 4 0 2 4 51.63 2.76 1.7703 2 6 0 4 51.69 2.23 1.7684 1 1 3 8 52.16 3.52 1.7535 3 5 1 8 53.02 9.05 1.7271 1 5 2 8 53.06 5.23 1.7259 4 4 1 8 53.82 1.28 1.7033 4 2 2 8 54.32 1.71 1.6890 5 3 0 4 54.48 2.40 1.6842 2 6 1 8 56.46 11.91 1.6298 2 2 3 8 57.07 1.46 1.6138 5 3 1 8 58.86 2.49 1.5691 6 0 0 2 59.16 2.67 1.5616 3 1 3 8 59.76 5.24 1.5474 1 7 1 8 60.16 1.84 1.5382 0 4 3 4 62.50 6.26 1.4861 2 6 2 8 63.64 1.22 1.4621 2 4 3 8 63.81 5.78 1.4586 6 2 1 8 64.15 1.94 1.4518 3 7 0 4 64.89 4.00 1.4370 5 3 2 8 66.25 1.12 1.4108 1 5 3 8 66.65 1.80 1.4032 3 7 1 8 66.95 1.22 1.3977 4 2 3 8 67.39 2.10 1.3896 1 7 2 8 67.58 1.47 1.3861 0 8 1 4 68.64 4.26 1.3673 0 0 4 2 70.50 1.09 1.3358 7 1 0 4 70.57 1.07 1.3347 6 4 1 8 71.21 2.58 1.3241 6 2 2 8 72.49 4.45 1.3039 4 6 2 8 72.81 1.12 1.2989 3 5 3 8 72.90 1.82 1.2976 7 1 1 8 73.56 1.69 1.2876 4 4 3 8 74.08 1.08 1.2799 2 2 4 8 74.37 3.55 1.2755 1 3 4 8 74.84 1.88 1.2686 7 3 0 4 75.29 2.42 1.2622 1 9 0 4 76.44 1.34 1.2460 3 1 4 8 77.67 1.69 1.2294 6 4 2 8 78.96 1.96 1.2126 6 6 0 4 79.30 2.00 1.2082 1 7 3 8 79.53 3.12 1.2053 5 7 1 8 80.40 1.44 1.1944 4 8 1 8 81.85 1.16 1.1768 8 0 0 2 82.91 2.42 1.1644 6 2 3 8 83.49 1.72 1.1579 4 2 4 8 86.23 1.09 1.1280 8 2 1 8 87.79 1.22 1.1119 0 6 4 4 89.01 3.14 1.0998 3 5 4 8 89.72 3.59 1.0929 4 4 4 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.