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 1008532 _database_code_amcsd 0016425 CELL PARAMETERS: 9.6880 8.0020 8.3390 90.000 90.000 90.000 SPACE GROUP: Cmcm X-RAY WAVELENGTH: 1.541838 Cell Volume: 646.467 Density (g/cm3): 5.925 MAX. ABS. INTENSITY / VOLUME**2: 79.55361018 RIR: 4.372 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.36 9.54 6.1696 1 1 0 4 17.88 36.86 4.9597 1 1 1 8 18.32 54.65 4.8440 2 0 0 2 21.31 63.76 4.1695 0 0 2 2 22.22 35.76 4.0010 0 2 0 2 24.68 44.49 3.6073 0 2 1 4 25.79 20.57 3.4546 1 1 2 8 28.24 100.00 3.1601 2 0 2 4 28.94 63.47 3.0848 2 2 0 4 29.84 7.36 2.9947 3 1 0 4 30.91 47.40 2.8932 2 2 1 8 30.98 69.52 2.8869 0 2 2 4 31.75 78.15 2.8184 3 1 1 8 34.89 8.83 2.5716 1 3 0 4 35.42 6.18 2.5343 1 1 3 8 36.22 73.32 2.4799 2 2 2 8 36.57 4.45 2.4574 1 3 1 8 36.96 2.26 2.4323 3 1 2 8 37.12 17.83 2.4220 4 0 0 2 39.47 12.68 2.2828 0 2 3 4 43.20 3.95 2.0943 4 0 2 4 43.41 31.19 2.0847 0 0 4 2 43.69 2.51 2.0719 4 2 0 4 43.84 15.89 2.0650 2 2 3 8 44.03 7.61 2.0565 3 3 0 4 44.47 28.63 2.0373 3 1 3 8 45.09 3.66 2.0108 4 2 1 8 45.33 7.22 2.0005 0 4 0 2 45.42 9.14 1.9967 3 3 1 8 46.69 23.41 1.9453 0 4 1 4 47.48 9.38 1.9149 2 0 4 4 48.21 1.53 1.8877 1 3 3 8 49.10 7.03 1.8555 4 2 2 8 49.29 7.98 1.8488 0 2 4 4 49.41 13.38 1.8444 3 3 2 8 49.63 34.23 1.8369 5 1 1 8 50.56 23.10 1.8052 2 4 1 8 53.02 20.20 1.7273 2 2 4 8 53.38 8.11 1.7162 5 1 2 8 53.56 2.75 1.7110 3 1 4 8 54.27 5.54 1.6903 2 4 2 8 55.30 1.96 1.6612 4 2 3 8 55.59 4.94 1.6532 3 3 3 8 56.69 11.91 1.6237 0 4 3 4 56.85 3.36 1.6195 1 3 4 8 57.22 1.57 1.6100 1 1 5 8 58.41 7.00 1.5800 4 0 4 4 58.91 10.30 1.5676 5 3 0 4 59.27 18.08 1.5591 5 1 3 8 59.98 1.94 1.5424 4 4 0 4 60.05 8.37 1.5407 5 3 1 8 60.10 12.51 1.5395 2 4 3 8 60.10 3.11 1.5394 0 2 5 4 61.10 4.72 1.5167 4 4 1 8 62.94 3.29 1.4767 1 5 2 8 63.28 1.40 1.4696 4 2 4 8 63.39 5.98 1.4674 5 3 2 8 63.40 4.32 1.4671 2 2 5 8 63.55 4.04 1.4641 3 3 4 8 63.89 7.55 1.4571 3 1 5 8 64.56 3.74 1.4434 0 4 4 4 65.04 5.73 1.4340 3 5 0 4 67.38 2.06 1.3898 0 0 6 2 68.75 4.87 1.3655 5 3 3 8 68.85 1.06 1.3638 7 1 0 4 69.29 4.75 1.3560 3 5 2 8 69.73 2.89 1.3487 4 4 3 8 69.89 10.30 1.3459 7 1 1 8 70.49 5.44 1.3359 2 0 6 4 71.66 4.93 1.3169 0 6 1 4 71.92 4.53 1.3129 0 2 6 4 73.04 1.74 1.2954 3 3 5 8 74.00 4.33 1.2810 0 4 5 4 74.69 6.98 1.2708 2 6 1 8 74.95 4.90 1.2672 2 2 6 8 75.95 7.83 1.2529 5 3 4 8 76.26 7.41 1.2485 5 1 5 8 76.89 1.45 1.2399 4 4 4 8 77.00 5.17 1.2384 2 4 5 8 77.33 2.00 1.2339 5 5 0 4 77.74 1.67 1.2285 7 3 0 4 78.05 6.95 1.2243 7 1 3 8 78.74 2.59 1.2154 7 3 1 8 79.75 3.38 1.2024 0 6 3 4 81.32 9.40 1.1832 5 5 2 8 81.46 4.98 1.1815 3 5 4 8 81.72 4.74 1.1784 7 3 2 8 82.69 4.85 1.1670 2 6 3 8 83.04 1.14 1.1629 8 0 2 4 83.57 1.37 1.1570 4 6 1 8 83.81 1.28 1.1542 4 2 6 8 84.05 2.28 1.1515 3 3 6 8 84.89 2.36 1.1423 5 3 5 8 84.99 1.03 1.1413 7 1 4 8 85.81 1.33 1.1324 4 4 5 8 86.64 1.95 1.1236 7 3 3 8 87.16 1.27 1.1183 5 1 6 8 87.31 1.01 1.1167 8 2 2 8 87.85 1.32 1.1113 2 2 7 8 87.88 1.02 1.1110 2 4 6 8 88.29 2.55 1.1069 3 1 7 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.