F5 Fe H8 N2 Croguennec L, Deniard P, Brec R, Couzi M, Sourisseau C, Fourquet J, Calage Y Journal of Solid State Chemistry 131 (1997) 189-197 Structural and spectroscopic evidence for hydrogen bonding induced (N H4)(+) cation ordering in beta-(N H4)2 Fe F5 at low temperature _cod_database_code 1000446 _database_code_amcsd 0013925 CELL PARAMETERS: 6.3269 7.6076 10.9802 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 528.505 Density (g/cm3): 2.298 MAX. ABS. INTENSITY / VOLUME**2: 18.17813861 RIR: 2.576 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.16 2.48 6.2533 0 1 1 4 16.14 54.88 5.4901 0 0 2 2 16.17 100.00 5.4820 1 0 1 4 23.39 21.80 3.8038 0 2 0 2 28.17 23.95 3.1681 1 0 3 4 28.21 12.56 3.1635 2 0 0 2 28.55 20.51 3.1267 0 2 2 4 28.56 40.89 3.1252 1 2 1 8 29.38 3.11 3.0398 2 0 1 4 32.62 4.02 2.7450 0 0 4 2 32.67 1.73 2.7410 2 0 2 4 34.79 5.16 2.5787 2 1 2 8 35.65 10.07 2.5182 1 0 4 4 37.89 7.39 2.3747 2 2 1 8 39.14 7.75 2.3015 1 3 1 8 39.47 1.45 2.2831 2 1 3 8 40.53 1.96 2.2259 0 2 4 4 40.57 4.08 2.2238 2 2 2 8 41.75 2.51 2.1634 1 3 2 8 42.86 1.41 2.1099 0 1 5 4 43.08 4.93 2.0998 1 2 4 8 43.41 1.70 2.0844 0 3 3 4 43.63 8.81 2.0746 1 0 5 4 43.66 3.44 2.0733 2 0 4 4 43.71 4.95 2.0711 3 0 1 4 45.38 1.44 1.9984 3 1 1 8 45.86 1.06 1.9786 2 3 0 4 46.11 4.14 1.9687 3 0 2 4 47.83 8.90 1.9019 0 4 0 2 49.83 4.76 1.8300 0 0 6 2 49.91 8.02 1.8273 3 0 3 4 50.08 7.03 1.8213 1 2 5 8 50.11 4.15 1.8204 2 2 4 8 50.15 9.52 1.8190 3 2 1 8 50.81 3.88 1.7971 0 4 2 4 50.81 7.68 1.7968 1 4 1 8 52.33 1.70 1.7484 3 2 2 8 55.34 1.04 1.6601 0 3 5 4 55.74 1.07 1.6491 0 2 6 4 55.81 4.23 1.6471 3 2 3 8 56.43 7.53 1.6306 1 4 3 8 56.45 3.47 1.6300 2 4 0 4 58.24 5.90 1.5841 2 0 6 4 59.09 2.01 1.5633 0 4 4 4 59.12 2.02 1.5626 2 4 2 8 60.84 3.65 1.5225 1 0 7 4 60.96 2.81 1.5199 4 0 2 4 63.63 2.94 1.4623 2 2 6 8 63.72 1.10 1.4605 4 2 0 4 66.10 2.74 1.4135 1 2 7 8 66.16 2.02 1.4124 3 2 5 8 66.21 6.10 1.4114 4 2 2 8 66.72 2.92 1.4019 1 4 5 8 66.74 2.10 1.4015 2 4 4 8 66.78 1.94 1.4009 3 4 1 8 68.46 1.12 1.3705 4 0 4 4 71.55 1.98 1.3187 0 4 6 4 71.61 3.15 1.3177 3 4 3 8 73.44 3.50 1.2894 4 2 4 8 75.51 1.70 1.2591 2 0 8 4 77.23 1.08 1.2353 1 6 1 8 78.60 2.70 1.2172 2 4 6 8 80.32 1.77 1.1953 2 2 8 8 80.87 1.93 1.1886 1 4 7 8 80.98 1.18 1.1873 4 4 2 8 84.12 1.16 1.1508 2 6 2 8 85.02 1.78 1.1409 5 2 3 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.