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 1000445 _database_code_amcsd 0013924 CELL PARAMETERS: 6.3385 7.6191 11.0298 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 532.669 Density (g/cm3): 2.230 MAX. ABS. INTENSITY / VOLUME**2: 20.05457684 RIR: 2.928 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 16.07 52.59 5.5149 0 0 2 2 16.13 100.00 5.4957 1 0 1 4 23.35 23.34 3.8096 0 2 0 2 28.06 19.87 3.1803 1 0 3 4 28.16 8.80 3.1693 2 0 0 2 28.48 15.41 3.1344 0 2 2 4 28.51 39.22 3.1309 1 2 1 8 29.32 2.74 3.0460 2 0 1 4 32.47 2.66 2.7575 0 0 4 2 32.59 2.26 2.7478 2 0 2 4 34.70 4.67 2.5849 2 1 2 8 35.50 8.67 2.5285 1 0 4 4 37.46 1.02 2.4005 2 0 3 4 37.82 7.28 2.3790 2 2 1 8 39.07 7.58 2.3054 1 3 1 8 39.35 1.37 2.2895 2 1 3 8 40.38 1.04 2.2337 0 2 4 4 40.48 3.94 2.2286 2 2 2 8 41.66 1.53 2.1677 1 3 2 8 42.67 1.39 2.1189 0 1 5 4 42.93 4.62 2.1067 1 2 4 8 43.30 1.64 2.0896 0 3 3 4 43.43 7.45 2.0834 1 0 5 4 43.50 3.37 2.0803 2 0 4 4 43.62 3.73 2.0751 3 0 1 4 45.29 1.70 2.0022 3 1 1 8 46.00 4.55 1.9730 3 0 2 4 47.75 8.94 1.9048 0 4 0 2 49.59 3.81 1.8383 0 0 6 2 49.77 6.44 1.8319 3 0 3 4 49.89 5.96 1.8279 1 2 5 8 49.95 4.88 1.8258 2 2 4 8 50.05 8.23 1.8223 3 2 1 8 50.71 2.66 1.8004 0 4 2 4 50.73 8.11 1.7997 1 4 1 8 52.21 1.62 1.7520 3 2 2 8 55.67 4.61 1.6509 3 2 3 8 56.30 5.22 1.6341 1 4 3 8 56.35 3.60 1.6326 2 4 0 4 58.00 5.43 1.5902 2 0 6 4 58.93 1.10 1.5672 0 4 4 4 59.00 2.20 1.5654 2 4 2 8 60.55 3.39 1.5291 1 0 7 4 60.82 2.56 1.5230 4 0 2 4 63.38 3.12 1.4674 2 2 6 8 63.59 1.02 1.4631 4 2 0 4 65.81 3.03 1.4191 1 2 7 8 65.95 1.57 1.4165 3 2 5 8 66.07 5.25 1.4142 4 2 2 8 66.51 2.91 1.4058 1 4 5 8 66.56 1.62 1.4048 2 4 4 8 66.65 1.28 1.4032 3 4 1 8 71.30 2.34 1.3228 0 4 6 4 71.45 2.80 1.3204 3 4 3 8 73.24 3.57 1.2924 4 2 4 8 75.15 1.64 1.2643 2 0 8 4 77.08 1.40 1.2373 1 6 1 8 78.33 2.34 1.2207 2 4 6 8 79.95 1.60 1.1999 2 2 8 8 80.56 1.93 1.1924 1 4 7 8 80.80 1.14 1.1895 4 4 2 8 83.95 1.10 1.1527 2 6 2 8 84.81 2.03 1.1432 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.