F5 Fe H4 O2 Zn 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 1000231 _database_code_amcsd 0013593 CELL PARAMETERS: 7.4510 10.7470 6.5240 90.000 90.000 90.000 SPACE GROUP: Imm2 X-RAY WAVELENGTH: 1.541838 Cell Volume: 522.415 Density (g/cm3): 3.207 MAX. ABS. INTENSITY / VOLUME**2: 23.64478399 RIR: 2.401 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 15.89 100.00 5.5769 0 1 1 2 16.50 3.11 5.3735 0 2 0 2 18.07 52.07 4.9084 1 0 1 2 24.56 57.84 3.6240 1 2 1 4 27.34 3.56 3.2620 0 0 2 1 28.42 34.43 3.1401 0 3 1 2 28.82 34.52 3.0979 2 1 1 4 29.17 64.18 3.0616 2 2 0 4 32.10 40.90 2.7884 0 2 2 2 33.35 5.70 2.6867 0 4 0 2 36.62 3.49 2.4542 2 0 2 2 38.19 6.80 2.3568 1 4 1 4 39.26 6.37 2.2947 1 3 2 4 41.44 11.37 2.1792 2 4 0 4 42.42 13.40 2.1309 3 2 1 4 43.34 17.63 2.0876 1 0 3 2 43.64 3.65 2.0739 0 4 2 2 44.37 1.07 2.0415 0 5 1 2 46.68 9.32 1.9459 1 2 3 4 46.74 1.86 1.9435 3 1 2 4 48.90 15.67 1.8628 4 0 0 2 49.00 9.15 1.8590 0 3 3 2 49.25 2.02 1.8501 2 1 3 4 50.36 39.55 1.8120 2 4 2 4 51.01 4.35 1.7903 2 5 1 4 51.74 6.14 1.7668 4 1 1 4 52.07 14.34 1.7565 3 4 1 4 54.54 8.19 1.6826 1 6 1 4 55.22 5.34 1.6634 2 3 3 4 55.77 6.10 1.6485 1 4 3 4 56.22 3.61 1.6361 3 0 3 2 56.42 5.39 1.6310 0 0 4 1 57.05 4.21 1.6143 2 6 0 4 57.53 7.50 1.6021 4 3 1 4 58.81 9.11 1.5700 0 6 2 2 59.02 3.98 1.5652 3 2 3 4 59.70 11.84 1.5489 4 2 2 4 60.48 5.42 1.5308 4 4 0 4 60.57 2.24 1.5287 0 5 3 2 62.11 2.94 1.4945 0 7 1 2 64.10 3.41 1.4528 5 0 1 2 64.76 11.49 1.4395 2 2 4 4 65.86 3.95 1.4180 3 6 1 4 66.06 5.03 1.4143 2 5 3 4 66.68 1.15 1.4026 4 1 3 4 66.69 2.98 1.4024 5 2 1 4 66.96 6.16 1.3974 3 4 3 4 67.14 2.79 1.3942 0 4 4 2 67.53 1.07 1.3870 2 7 1 4 68.15 1.25 1.3760 4 5 1 4 70.04 3.59 1.3434 0 8 0 2 71.73 2.80 1.3158 4 3 3 4 73.02 2.88 1.2957 1 8 1 4 73.05 1.44 1.2953 0 1 5 2 74.46 1.17 1.2742 3 3 4 4 76.16 1.44 1.2500 1 2 5 4 77.68 2.57 1.2293 5 0 3 2 77.84 3.44 1.2271 4 0 4 2 78.12 2.79 1.2235 2 1 5 4 79.16 2.42 1.2099 6 2 0 4 79.91 5.97 1.2005 4 6 2 4 80.08 1.40 1.1983 5 2 3 4 81.72 2.63 1.1784 2 8 2 4 82.04 1.03 1.1746 0 9 1 2 82.81 1.75 1.1657 4 7 1 4 83.25 1.30 1.1606 6 0 2 2 83.35 1.12 1.1594 1 4 5 4 84.43 4.29 1.1473 2 6 4 4 86.07 1.28 1.1297 1 8 3 4 86.20 1.48 1.1283 5 6 1 4 87.37 2.45 1.1162 4 4 4 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.