F6 Fe2 H4 N Ferey G, le Blanc M, de Pape R Journal of Solid State Chemistry 40 (1981) 1-7 Crystal Structure of the Ordered Pyrochlore N H4 Fe(II) Fe(III) F6 Structural Correlations with Fe2 F5 (H2 O)2 and Its Dehydration Product Fe2 F5 H2 O _cod_database_code 1000174 _database_code_amcsd 0013420 CELL PARAMETERS: 7.0450 7.4540 10.1160 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 531.226 Density (g/cm3): 2.996 MAX. ABS. INTENSITY / VOLUME**2: 22.79460434 RIR: 2.477 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.76 100.00 6.0009 0 1 1 4 15.33 94.11 5.7812 1 0 1 4 17.53 1.07 5.0580 0 0 2 2 19.43 1.14 4.5683 1 1 1 8 21.63 2.66 4.1087 1 0 2 4 24.74 1.27 3.5983 1 1 2 8 26.80 10.28 3.3266 2 0 1 4 28.02 4.16 3.1848 2 1 0 4 28.49 48.55 3.1325 1 2 1 8 29.06 13.19 3.0723 0 1 3 4 29.36 22.26 3.0416 1 0 3 4 29.40 23.37 3.0378 2 1 1 8 29.78 34.19 3.0004 0 2 2 4 30.94 27.74 2.8906 2 0 2 4 31.78 1.41 2.8161 1 1 3 8 33.24 1.12 2.6950 2 1 2 8 35.05 3.34 2.5600 2 2 0 4 35.50 3.83 2.5290 0 0 4 2 36.90 4.21 2.4358 2 0 3 4 37.26 2.53 2.4129 0 3 1 4 37.80 3.30 2.3803 1 0 4 4 39.39 1.75 2.2875 3 0 1 4 39.48 3.21 2.2828 1 3 1 8 41.28 4.90 2.1868 3 1 1 8 42.44 6.05 2.1300 3 0 2 4 42.52 1.02 2.1261 1 3 2 8 44.43 2.48 2.0390 2 2 3 8 44.63 1.06 2.0304 2 3 0 4 45.20 6.87 2.0061 1 2 4 8 45.34 11.20 2.0003 0 3 3 4 45.57 2.03 1.9907 2 3 1 8 45.82 3.89 1.9805 2 1 4 8 46.59 2.87 1.9496 3 2 1 8 46.71 4.65 1.9446 1 0 5 4 47.16 6.96 1.9271 3 0 3 4 48.87 15.08 1.8635 0 4 0 2 50.74 21.31 1.7991 2 2 4 8 51.53 5.73 1.7736 1 4 1 8 51.92 2.58 1.7613 4 0 0 2 52.62 4.78 1.7394 2 3 3 8 52.76 2.60 1.7351 4 0 1 4 53.12 4.86 1.7240 1 2 5 8 53.46 1.27 1.7141 4 1 0 4 53.53 6.96 1.7118 3 2 3 8 53.67 4.41 1.7077 2 1 5 8 55.22 2.37 1.6633 4 0 2 4 56.61 2.04 1.6258 2 4 1 8 56.70 5.45 1.6234 4 1 2 8 58.05 4.91 1.5890 1 4 3 8 58.11 2.93 1.5873 2 2 5 8 58.28 1.60 1.5833 2 3 4 8 58.69 4.44 1.5730 4 2 1 8 58.97 10.13 1.5662 2 4 2 8 59.13 1.26 1.5624 3 2 4 8 60.25 3.22 1.5361 0 2 6 4 60.39 2.83 1.5328 3 0 5 4 60.45 2.04 1.5314 1 3 5 8 60.92 7.05 1.5208 2 0 6 4 61.00 8.28 1.5189 4 2 2 8 61.81 1.20 1.5009 1 2 6 8 61.84 2.41 1.5002 0 4 4 4 63.03 2.21 1.4749 0 5 1 4 64.47 1.42 1.4453 4 0 4 4 64.50 1.25 1.4448 3 4 1 8 64.89 1.13 1.4369 4 3 0 4 65.99 1.06 1.4157 1 0 7 4 67.32 1.57 1.3908 1 1 7 8 67.80 2.17 1.3822 4 3 2 8 69.04 1.78 1.3604 2 5 1 8 69.79 1.22 1.3475 4 2 4 8 69.92 2.19 1.3455 1 4 5 8 70.27 2.90 1.3396 3 4 3 8 71.26 1.95 1.3234 1 2 7 8 71.35 1.30 1.3219 4 3 3 8 72.30 2.08 1.3069 5 2 1 8 72.45 1.10 1.3045 3 3 5 8 72.74 1.65 1.3001 5 0 3 4 74.76 1.68 1.2699 4 4 1 8 75.15 1.03 1.2643 3 4 4 8 75.55 1.51 1.2585 2 2 7 8 76.55 1.20 1.2446 1 0 8 4 77.81 1.16 1.2275 5 2 3 8 78.80 1.37 1.2146 1 6 1 8 81.27 1.67 1.1838 3 4 5 8 81.73 2.86 1.1782 2 4 6 8 82.30 1.14 1.1716 2 6 0 4 82.55 2.14 1.1687 3 2 7 8 84.91 1.55 1.1421 4 4 4 8 85.68 1.83 1.1337 2 2 8 8 87.67 1.17 1.1131 6 2 1 8 87.96 1.17 1.1101 4 5 2 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.