Tl3Fe2S4 Welz D, Deppe P, Schaefer W, Sabrowsky H, Rosenberg M Journal of Physics and Chemistry of Solids 50 (1989) 297-308 Magnetism of iron-sulfur tetrahedral frameworks in compounds with thallium I. Chain structures _database_code_amcsd 0013235 CELL PARAMETERS: 7.3800 10.7300 11.1400 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 882.148 Density (g/cm3): 6.423 MAX. ABS. INTENSITY / VOLUME**2: 91.40411434 RIR: 4.634 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 11.45 2.23 7.7281 0 1 1 4 14.40 22.93 6.1524 1 0 1 4 15.91 7.84 5.5700 0 0 2 2 16.61 1.26 5.3373 1 1 1 8 19.97 1.66 4.4459 1 0 2 4 21.64 8.29 4.1073 1 1 2 8 21.98 12.80 4.0435 1 2 1 8 23.02 12.53 3.8641 0 2 2 4 24.12 57.31 3.6900 2 0 0 2 25.38 40.59 3.5091 0 1 3 4 25.53 31.22 3.4894 2 1 0 4 26.17 83.57 3.4054 0 3 1 4 26.77 2.58 3.3299 2 1 1 8 26.88 72.96 3.3171 1 0 3 4 28.16 22.14 3.1691 1 1 3 8 28.87 5.77 3.0921 1 3 1 8 29.03 1.14 3.0762 2 0 2 4 29.38 4.62 3.0403 2 2 0 4 30.22 10.64 2.9571 2 1 2 8 30.48 64.95 2.9330 2 2 1 8 31.71 5.58 2.8214 1 2 3 8 32.12 100.00 2.7868 1 3 2 8 32.14 5.09 2.7850 0 0 4 2 33.58 3.57 2.6686 2 2 2 8 34.26 28.04 2.6174 2 0 3 4 34.83 1.00 2.5760 0 3 3 4 35.30 18.52 2.5429 2 1 3 8 35.88 43.49 2.5026 2 3 1 8 36.35 33.75 2.4718 0 2 4 4 37.20 11.34 2.4168 0 4 2 4 37.44 2.28 2.4021 3 0 1 4 38.40 4.62 2.3441 3 1 1 8 38.41 1.99 2.3438 1 2 4 8 38.60 8.03 2.3322 2 3 2 8 40.07 5.33 2.2503 3 0 2 4 40.58 4.93 2.2229 2 0 4 4 40.98 2.31 2.2024 3 1 2 8 41.17 3.72 2.1924 3 2 1 8 41.39 8.31 2.1815 0 1 5 4 41.48 2.28 2.1767 2 1 4 8 41.62 3.28 2.1698 2 4 0 4 42.44 15.84 2.1297 2 4 1 8 42.81 4.81 2.1122 2 3 3 8 42.94 16.27 2.1060 1 3 4 8 43.38 4.92 2.0858 1 4 3 8 43.62 8.75 2.0752 3 2 2 8 44.10 8.70 2.0536 2 2 4 8 44.16 10.32 2.0508 3 0 3 4 44.72 1.98 2.0263 1 5 1 8 44.83 6.74 2.0218 2 4 2 8 45.00 12.60 2.0143 3 1 3 8 45.49 1.59 1.9941 3 3 1 8 45.78 6.31 1.9820 1 2 5 8 47.02 9.84 1.9326 1 5 2 8 47.03 3.87 1.9320 0 4 4 4 47.46 2.82 1.9156 3 2 3 8 47.68 6.53 1.9073 2 0 5 4 47.75 3.31 1.9047 3 3 2 8 48.20 13.33 1.8880 2 3 4 8 48.48 2.06 1.8779 2 1 5 8 48.60 1.31 1.8734 2 4 3 8 48.72 1.28 1.8690 1 4 4 8 49.03 3.49 1.8580 0 5 3 4 49.11 2.88 1.8551 2 5 0 4 49.77 3.43 1.8319 1 3 5 8 50.12 1.04 1.8202 4 0 1 4 50.17 10.92 1.8183 4 1 0 4 50.21 1.41 1.8171 3 1 4 8 50.66 4.15 1.8018 1 5 3 8 50.70 1.56 1.8006 1 0 6 4 50.88 3.55 1.7946 4 1 1 8 51.07 14.37 1.7883 0 6 0 2 51.36 6.35 1.7791 3 3 3 8 51.46 19.00 1.7757 1 1 6 8 51.95 5.39 1.7600 2 5 2 8 52.13 1.18 1.7546 0 2 6 4 52.23 2.38 1.7514 4 0 2 4 52.45 1.61 1.7447 4 2 0 4 52.48 1.96 1.7436 3 2 4 8 52.97 1.07 1.7285 4 1 2 8 53.12 2.08 1.7240 3 4 2 8 53.13 10.04 1.7237 4 2 1 8 53.35 6.74 1.7173 1 6 1 8 53.84 2.56 1.7027 0 6 2 4 54.53 3.83 1.6830 2 3 5 8 55.00 5.39 1.6695 1 4 5 8 55.17 2.95 1.6649 4 2 2 8 55.36 3.06 1.6595 2 5 3 8 55.47 1.30 1.6565 1 5 4 8 55.62 6.86 1.6523 4 0 3 4 55.66 1.99 1.6514 3 0 5 4 56.09 4.24 1.6397 4 3 0 4 56.48 1.29 1.6292 3 4 3 8 57.25 6.12 1.6093 2 6 0 4 57.29 8.59 1.6083 1 3 6 8 57.59 6.55 1.6004 3 5 1 8 58.22 1.48 1.5846 2 2 6 8 58.65 10.10 1.5741 1 6 3 8 58.70 1.83 1.5730 4 3 2 8 59.41 1.04 1.5557 1 0 7 4 59.52 1.90 1.5530 3 5 2 8 59.82 1.61 1.5461 2 6 2 8 59.84 7.36 1.5456 0 5 5 4 60.95 2.25 1.5202 4 4 0 4 60.98 2.00 1.5194 3 4 4 8 61.57 5.33 1.5062 4 4 1 8 61.63 1.75 1.5048 0 6 4 4 61.64 3.56 1.5046 2 3 6 8 61.86 4.57 1.5000 4 3 3 8 61.89 8.76 1.4993 3 3 5 8 62.12 7.95 1.4941 1 2 7 8 62.66 3.63 1.4826 3 5 3 8 62.69 8.73 1.4820 3 0 6 4 62.95 5.83 1.4766 2 6 3 8 65.02 1.65 1.4345 3 6 1 8 65.41 4.08 1.4268 5 0 2 4 65.42 3.17 1.4266 1 3 7 8 65.47 5.05 1.4256 2 5 5 8 65.71 3.20 1.4210 4 0 5 4 65.93 2.39 1.4169 0 7 3 4 65.99 2.15 1.4156 2 7 0 4 66.13 11.70 1.4130 4 3 4 8 66.82 2.96 1.4001 3 6 2 8 66.88 3.47 1.3990 4 5 0 4 67.18 3.43 1.3934 2 6 4 8 67.23 2.47 1.3925 0 0 8 2 67.47 1.90 1.3881 4 5 1 8 67.96 5.77 1.3794 1 5 6 8 67.99 4.24 1.3788 5 2 2 8 68.54 3.35 1.3691 3 3 6 8 69.03 2.60 1.3605 5 1 3 8 69.22 1.09 1.3574 1 1 8 8 69.24 2.29 1.3569 4 5 2 8 69.40 1.49 1.3543 5 3 1 8 69.77 2.31 1.3478 3 6 3 8 69.90 3.68 1.3457 1 4 7 8 70.47 1.79 1.3362 3 0 7 4 71.30 1.16 1.3227 2 7 3 8 71.43 1.84 1.3206 4 3 5 8 72.07 2.50 1.3105 1 8 1 8 72.45 3.74 1.3046 2 6 5 8 72.56 1.44 1.3028 2 0 8 4 73.09 1.03 1.2946 5 1 4 8 74.02 3.68 1.2807 5 3 3 8 75.97 4.28 1.2526 2 8 1 8 76.03 7.10 1.2517 3 3 7 8 76.14 1.02 1.2502 4 5 4 8 77.70 1.81 1.2290 4 3 6 8 77.79 1.06 1.2278 3 7 3 8 78.18 1.99 1.2226 6 0 1 4 78.33 1.22 1.2207 1 0 9 4 78.88 3.33 1.2136 4 6 3 8 79.01 1.08 1.2118 3 0 8 4 79.28 5.03 1.2084 0 8 4 4 81.13 2.80 1.1855 0 9 1 4 81.67 1.19 1.1790 4 7 0 4 82.13 1.14 1.1735 2 0 9 4 82.34 1.45 1.1711 3 8 1 8 82.46 3.05 1.1697 0 3 9 4 82.68 2.01 1.1672 1 7 6 8 82.73 1.43 1.1666 2 1 9 8 83.03 3.70 1.1631 6 3 0 4 83.58 2.01 1.1569 6 3 1 8 83.71 3.94 1.1554 5 0 6 4 83.85 2.79 1.1538 1 5 8 8 84.00 2.16 1.1521 3 8 2 8 84.05 5.14 1.1515 1 9 2 8 84.33 2.72 1.1484 2 8 4 8 85.00 5.22 1.1411 3 6 6 8 86.08 1.20 1.1295 5 2 6 8 86.17 2.06 1.1286 2 9 1 8 87.45 3.30 1.1153 5 6 2 8 87.48 3.12 1.1150 2 3 9 8 87.72 4.00 1.1126 4 6 5 8 89.00 1.25 1.0999 3 1 9 8 89.12 1.86 1.0987 0 6 8 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.