F4 H8 N2 O Ti Patarin J, Marcuccilli-Hoffner F, Kessler H, Daniels P European Journal of Solid State and Inorganic Chemistry 31 (1994) 501-511 Synthesis and structure determination of (N H4)2 Ti F4 O _cod_database_code 1004024 _database_code_amcsd 0012590 CELL PARAMETERS: 6.3245 7.5422 11.0095 90.000 90.120 90.000 SPACE GROUP: P2_1/m X-RAY WAVELENGTH: 1.541838 Cell Volume: 525.159 Density (g/cm3): 2.148 MAX. ABS. INTENSITY / VOLUME**2: 7.361928212 RIR: 1.116 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 14.23 1.91 6.2222 0 1 1 4 16.10 92.68 5.5047 0 0 2 2 16.15 100.00 5.4890 -1 0 1 2 16.18 91.11 5.4791 1 0 1 2 20.03 1.17 4.4328 1 1 1 4 23.59 46.69 3.7711 0 2 0 2 28.09 18.00 3.1770 -1 0 3 2 28.14 18.41 3.1713 1 0 3 2 28.22 16.25 3.1622 2 0 0 2 28.69 32.92 3.1111 0 2 2 4 28.72 38.94 3.1082 -1 2 1 4 28.74 40.65 3.1064 1 2 1 4 29.37 3.45 3.0410 -2 0 1 2 29.40 3.48 3.0377 2 0 1 2 32.53 2.73 2.7524 0 0 4 2 32.63 1.25 2.7445 -2 0 2 2 32.69 1.25 2.7395 2 0 2 2 34.78 5.53 2.5791 -2 1 2 4 34.84 5.56 2.5749 2 1 2 4 35.54 12.60 2.5257 -1 0 4 2 35.60 12.19 2.5218 1 0 4 2 37.00 1.98 2.4297 -1 2 3 4 37.04 1.93 2.4271 1 2 3 4 37.50 1.58 2.3981 -2 0 3 2 37.55 1.35 2.3950 -1 1 4 4 37.59 1.60 2.3931 2 0 3 2 37.61 1.33 2.3917 1 1 4 4 38.01 9.74 2.3672 -2 2 1 4 38.04 9.69 2.3656 2 2 1 4 39.42 9.81 2.2857 -1 3 1 4 39.43 1.90 2.2853 -2 1 3 4 39.43 9.45 2.2850 1 3 1 4 39.51 1.82 2.2810 2 1 3 4 40.58 1.45 2.2232 0 2 4 4 40.66 2.08 2.2190 -2 2 2 4 40.71 2.08 2.2164 2 2 2 4 42.00 2.61 2.1512 -1 3 2 4 42.02 2.64 2.1500 1 3 2 4 42.78 4.18 2.1137 0 1 5 4 43.11 6.43 2.0985 -1 2 4 4 43.15 6.20 2.0963 1 2 4 4 43.49 6.91 2.0808 -1 0 5 2 43.55 2.98 2.0783 -2 0 4 2 43.55 6.90 2.0781 1 0 5 2 43.64 3.94 2.0741 0 3 3 4 43.64 2.95 2.0740 2 0 4 2 43.70 3.51 2.0713 -3 0 1 2 43.74 3.43 2.0697 3 0 1 2 45.41 1.75 1.9974 -3 1 1 4 45.44 1.57 1.9960 3 1 1 4 46.07 6.28 1.9701 -3 0 2 2 46.14 6.17 1.9673 3 0 2 2 48.27 18.21 1.8856 0 4 0 2 49.69 6.90 1.8349 0 0 6 2 49.84 6.94 1.8297 -3 0 3 2 49.94 7.20 1.8264 3 0 3 2 50.07 5.47 1.8219 -1 2 5 4 50.12 4.32 1.8202 -2 2 4 4 50.12 5.31 1.8201 1 2 5 4 50.20 4.30 1.8173 2 2 4 4 50.25 6.69 1.8155 -3 2 1 4 50.29 6.50 1.8144 3 2 1 4 51.21 4.61 1.7838 0 4 2 4 51.23 6.33 1.7833 -1 4 1 4 51.24 6.33 1.7829 1 4 1 4 52.40 2.25 1.7462 -3 2 2 4 52.46 2.21 1.7443 3 2 2 4 55.47 1.51 1.6564 0 3 5 4 55.71 1.47 1.6500 0 2 6 4 55.85 3.88 1.6461 -3 2 3 4 55.94 3.77 1.6437 3 2 3 4 56.42 1.20 1.6309 -2 2 5 4 56.52 1.24 1.6283 2 2 5 4 56.78 4.97 1.6215 -1 4 3 4 56.81 4.82 1.6207 1 4 3 4 56.85 6.08 1.6195 2 4 0 4 57.72 1.22 1.5973 -1 2 6 4 57.78 1.25 1.5958 1 2 6 4 58.06 5.61 1.5885 -2 0 6 2 58.18 5.56 1.5856 2 0 6 2 58.36 1.42 1.5811 4 0 0 2 59.42 1.40 1.5555 0 4 4 4 59.48 1.75 1.5541 -2 4 2 4 59.52 1.72 1.5532 2 4 2 4 60.64 3.16 1.5270 -1 0 7 2 60.71 3.13 1.5255 1 0 7 2 60.93 3.12 1.5205 -4 0 2 2 61.00 3.06 1.5188 4 0 2 2 63.55 2.99 1.4639 -2 2 6 4 63.66 3.01 1.4617 2 2 6 4 63.84 1.42 1.4581 4 2 0 4 66.00 3.05 1.4154 -1 2 7 4 66.07 3.04 1.4142 1 2 7 4 66.28 4.49 1.4102 -4 2 2 4 66.35 4.57 1.4089 4 2 2 4 66.97 2.38 1.3972 -1 4 5 4 67.02 1.26 1.3965 -2 4 4 4 67.02 2.47 1.3964 1 4 5 4 67.09 1.28 1.3951 2 4 4 4 67.13 1.11 1.3944 -3 4 1 4 67.16 1.21 1.3939 3 4 1 4 71.78 3.89 1.3150 0 4 6 4 71.90 2.77 1.3131 -3 4 3 4 71.98 2.68 1.3119 3 4 3 4 73.43 3.26 1.2895 -4 2 4 4 73.57 3.18 1.2875 4 2 4 4 75.25 1.75 1.2628 -2 0 8 2 75.38 1.75 1.2609 2 0 8 2 76.56 2.04 1.2444 0 5 5 4 77.98 1.13 1.2253 -1 6 1 4 77.98 1.12 1.2252 1 6 1 4 78.78 2.22 1.2149 -2 4 6 4 78.88 2.18 1.2136 2 4 6 4 80.15 1.46 1.1975 -2 2 8 4 80.28 1.44 1.1958 2 2 8 4 81.03 1.59 1.1867 -1 4 7 4 81.09 1.54 1.1860 1 4 7 4 81.28 1.25 1.1836 -4 4 2 4 81.35 1.22 1.1828 4 4 2 4 85.05 1.80 1.1406 -5 2 3 4 85.17 1.78 1.1392 5 2 3 4 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.