F5 Fe H4 Mn O2 Laligant Y, Pannetier J, Ferey G Journal of Solid State Chemistry 66 (1987) 242-250 Ordered magnetic frustration. VI. Crystal and magnetic structures of the inverse Weberites Zn Fe F5 (H2 O)2 and Mn Fe F5 (H2 O)2 at 1.5K from powder neutron diffraction _cod_database_code 1000230 _database_code_amcsd 0013592 CELL PARAMETERS: 7.4750 10.7660 6.5940 90.000 90.000 90.000 SPACE GROUP: Imm2 X-RAY WAVELENGTH: 1.541838 Cell Volume: 530.658 Density (g/cm3): 3.026 MAX. ABS. INTENSITY / VOLUME**2: 23.86912810 RIR: 2.568 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.76 100.00 5.6231 0 1 1 2 17.94 30.05 4.9450 1 0 1 2 24.44 35.04 3.6416 1 2 1 4 27.04 1.16 3.2970 0 0 2 1 28.31 33.13 3.1521 0 3 1 2 28.68 36.72 3.1127 2 1 1 4 29.09 46.67 3.0701 2 2 0 4 31.83 34.10 2.8116 0 2 2 2 33.29 2.39 2.6915 0 4 0 2 36.34 1.09 2.4725 2 0 2 2 38.07 3.51 2.3640 1 4 1 4 39.01 6.72 2.3092 1 3 2 4 41.34 6.79 2.1841 2 4 0 4 42.25 7.58 2.1389 3 2 1 4 42.89 14.16 2.1087 1 0 3 2 43.40 5.08 2.0850 0 4 2 2 44.25 1.29 2.0468 0 5 1 2 46.24 5.21 1.9634 1 2 3 4 46.45 1.42 1.9548 3 1 2 4 48.57 10.13 1.8744 0 3 3 2 48.73 13.93 1.8687 4 0 0 2 50.10 32.92 1.8208 2 4 2 4 50.86 3.31 1.7953 2 5 1 4 51.53 6.29 1.7734 4 1 1 4 51.89 10.78 1.7620 3 4 1 4 54.39 5.28 1.6867 1 6 1 4 54.79 6.00 1.6755 2 3 3 4 55.35 3.01 1.6599 1 4 3 4 55.76 3.86 1.6485 0 0 4 1 55.77 2.16 1.6483 3 0 3 2 56.93 2.39 1.6176 2 6 0 4 57.32 6.61 1.6075 4 3 1 4 58.57 2.13 1.5761 3 2 3 4 58.57 7.49 1.5760 0 6 2 2 59.38 9.09 1.5563 4 2 2 4 60.16 2.77 1.5381 0 5 3 2 60.29 2.95 1.5350 4 4 0 4 61.96 2.46 1.4978 0 7 1 2 63.84 2.85 1.4580 5 0 1 2 64.12 8.09 1.4524 2 2 4 4 65.64 4.82 1.4224 2 5 3 4 65.67 2.63 1.4218 3 6 1 4 66.43 1.69 1.4073 5 2 1 4 66.51 2.12 1.4058 0 4 4 2 66.52 4.06 1.4057 3 4 3 4 67.35 1.54 1.3903 2 7 1 4 67.92 1.01 1.3801 4 5 1 4 69.90 2.89 1.3457 0 8 0 2 71.26 3.43 1.3234 4 3 3 4 72.16 1.59 1.3090 0 1 5 2 72.84 1.77 1.2985 1 8 1 4 73.81 1.57 1.2838 3 3 4 4 77.16 2.22 1.2362 4 0 4 2 77.16 2.13 1.2362 5 0 3 2 77.22 3.07 1.2354 2 1 5 4 78.86 1.71 1.2138 6 2 0 4 79.57 4.94 1.2048 4 6 2 4 80.95 1.14 1.1876 4 5 3 4 81.42 1.57 1.1820 2 8 2 4 81.84 1.23 1.1770 0 9 1 2 82.54 1.48 1.1687 4 7 1 4 83.78 2.89 1.1546 2 6 4 4 86.67 2.01 1.1234 4 4 4 4 89.81 1.68 1.0921 4 8 0 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.