F5 H2 Mn O Tl2 Nunez P, Tressaud A, Darriet J, Hagenmuller P, Hahn G, Frenzen G, Massa W, Babel D, Boireau A, Soubeyroux J Inorganic Chemistry 31 (1992) 770-774 A new linear chain compound: crystal and magnetic structures of Tl2MnF5.H2O _cod_database_code 1008533 _database_code_amcsd 0016426 CELL PARAMETERS: 9.5260 7.8610 8.3170 90.000 90.000 90.000 SPACE GROUP: Cmcm X-RAY WAVELENGTH: 1.541838 Cell Volume: 622.809 Density (g/cm3): 6.150 MAX. ABS. INTENSITY / VOLUME**2: 87.35633169 RIR: 4.625 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.61 8.66 6.0631 1 1 0 4 18.11 34.44 4.8994 1 1 1 8 18.63 54.37 4.7630 2 0 0 2 21.37 64.00 4.1585 0 0 2 2 22.62 36.58 3.9305 0 2 0 2 25.06 42.02 3.5536 0 2 1 4 25.98 18.23 3.4294 1 1 2 8 28.49 100.00 3.1326 2 0 2 4 29.46 62.68 3.0316 2 2 0 4 30.36 6.49 2.9442 3 1 0 4 31.31 71.06 2.8565 0 2 2 4 31.41 44.30 2.8482 2 2 1 8 32.25 74.95 2.7754 3 1 1 8 35.53 9.02 2.5265 1 3 0 4 35.61 4.86 2.5213 1 1 3 8 36.69 79.30 2.4497 2 2 2 8 37.19 5.48 2.4174 1 3 1 8 37.43 2.34 2.4029 3 1 2 8 37.78 19.35 2.3815 4 0 0 2 39.79 12.93 2.2655 0 2 3 4 43.53 33.54 2.0793 0 0 4 2 43.81 4.67 2.0666 4 0 2 4 44.27 15.67 2.0459 2 2 3 8 44.48 3.07 2.0368 4 2 0 4 44.85 6.79 2.0210 3 3 0 4 44.91 31.33 2.0184 3 1 3 8 45.87 4.09 1.9783 4 2 1 8 46.19 8.22 1.9653 0 4 0 2 46.23 8.89 1.9639 3 3 1 8 47.54 23.00 1.9126 0 4 1 4 47.73 10.76 1.9056 2 0 4 4 48.77 1.59 1.8674 1 3 3 8 49.60 9.01 1.8379 0 2 4 4 49.85 8.17 1.8292 4 2 2 8 50.19 13.16 1.8177 3 3 2 8 50.50 35.86 1.8073 5 1 1 8 51.49 25.02 1.7748 2 4 1 8 53.44 22.75 1.7147 2 2 4 8 53.99 2.64 1.6984 3 1 4 8 54.23 8.11 1.6915 5 1 2 8 55.17 6.83 1.6648 2 4 2 8 56.03 2.36 1.6414 4 2 3 8 56.33 5.70 1.6331 3 3 3 8 57.39 3.73 1.6055 1 3 4 8 57.45 2.04 1.6041 1 1 5 8 57.48 12.66 1.6033 0 4 3 4 58.97 8.48 1.5663 4 0 4 4 60.04 11.11 1.5409 5 3 0 4 60.09 19.20 1.5398 5 1 3 8 60.43 3.43 1.5319 0 2 5 4 60.97 14.13 1.5195 2 4 3 8 61.14 2.47 1.5158 4 4 0 4 61.17 10.29 1.5152 5 3 1 8 62.26 5.32 1.4912 4 4 1 8 63.83 4.89 1.4583 2 2 5 8 63.99 1.90 1.4550 4 2 4 8 64.07 3.08 1.4534 1 5 2 8 64.27 4.23 1.4492 3 3 4 8 64.32 8.11 1.4482 3 1 5 8 64.49 6.25 1.4449 5 3 2 8 65.34 4.79 1.4282 0 4 4 4 66.34 5.93 1.4090 3 5 0 4 67.58 2.66 1.3862 0 0 6 2 69.83 5.99 1.3469 5 3 3 8 70.19 1.07 1.3409 7 1 0 4 70.58 5.94 1.3344 3 5 2 8 70.79 6.39 1.3309 2 0 6 4 70.85 3.55 1.3300 4 4 3 8 71.23 12.48 1.3238 7 1 1 8 72.27 5.65 1.3073 0 2 6 4 73.12 6.18 1.2942 0 6 1 4 73.78 1.85 1.2843 3 3 5 8 74.77 5.12 1.2697 0 4 5 4 75.40 6.91 1.2606 2 2 6 8 76.23 8.49 1.2489 2 6 1 8 77.03 9.44 1.2380 5 3 4 8 77.07 9.61 1.2374 5 1 5 8 77.86 6.64 1.2268 2 4 5 8 78.01 2.04 1.2249 4 4 4 8 78.95 2.48 1.2126 5 5 0 4 79.34 2.10 1.2077 7 3 0 4 79.38 9.33 1.2071 7 1 3 8 80.34 3.36 1.1952 7 3 1 8 81.21 4.55 1.1845 0 6 3 4 82.74 5.80 1.1664 3 5 4 8 82.94 11.16 1.1641 5 5 2 8 83.32 5.61 1.1598 7 3 2 8 84.23 6.23 1.1495 2 6 3 8 84.56 1.76 1.1460 4 2 6 8 84.67 1.13 1.1447 8 0 2 4 84.81 2.66 1.1431 3 3 6 8 85.35 1.20 1.1373 0 2 7 4 85.37 2.09 1.1371 4 6 1 8 86.00 3.66 1.1304 5 3 5 8 86.33 1.16 1.1269 7 1 4 8 86.96 1.82 1.1204 4 4 5 8 88.01 1.55 1.1097 5 1 6 8 88.26 2.86 1.1072 7 3 3 8 88.36 1.74 1.1062 2 2 7 8 88.78 1.44 1.1020 2 4 6 8 88.80 3.78 1.1018 3 1 7 8 89.08 1.39 1.0991 8 2 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.