H Nb O5 Ti Rebbah A, Pannetier J, Raveau B Journal of Solid State Chemistry 41 (1982) 57-62 Localization of Hydrogen in the Layer Oxide H Ti Nb O5 _cod_database_code 1001205 _database_code_amcsd 0013460 CELL PARAMETERS: 6.5210 3.7730 16.6560 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 409.800 Density (g/cm3): 3.594 MAX. ABS. INTENSITY / VOLUME**2: 42.46092998 RIR: 3.847 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.62 100.00 8.3280 0 0 2 2 14.59 1.36 6.0722 1 0 1 4 17.27 65.59 5.1343 1 0 2 4 21.02 6.55 4.2274 1 0 3 4 21.34 4.33 4.1640 0 0 4 2 24.19 50.72 3.6798 0 1 1 4 25.38 4.92 3.5095 1 0 4 4 27.35 28.02 3.2605 2 0 0 2 27.88 10.45 3.1998 2 0 1 4 28.60 19.31 3.1206 0 1 3 4 29.38 1.02 3.0403 1 1 2 8 29.42 6.10 3.0361 2 0 2 4 30.12 4.37 2.9665 1 0 5 4 31.79 47.46 2.8149 1 1 3 8 31.83 1.92 2.8115 2 0 3 4 35.13 25.83 2.5542 1 0 6 4 36.42 7.41 2.4670 2 1 0 4 36.83 5.59 2.4404 2 1 1 8 38.61 8.98 2.3320 1 1 5 8 39.99 2.27 2.2544 2 1 3 8 40.35 1.98 2.2353 1 0 7 4 43.01 7.21 2.1032 3 0 2 4 43.47 7.42 2.0820 0 0 8 2 44.78 12.08 2.0241 3 0 3 4 45.75 4.98 1.9834 1 0 8 4 47.27 2.91 1.9231 1 1 7 8 48.24 16.47 1.8865 0 2 0 2 49.54 3.08 1.8399 0 2 2 4 49.62 3.91 1.8371 3 1 2 8 50.11 5.08 1.8204 3 0 5 4 51.22 7.56 1.7836 3 1 3 8 51.62 5.86 1.7708 1 2 2 8 52.10 1.01 1.7556 1 1 8 8 52.12 4.11 1.7548 2 0 8 4 53.39 1.68 1.7161 3 1 4 8 53.55 3.77 1.7114 3 0 6 4 55.29 7.06 1.6616 0 1 9 4 56.10 4.54 1.6395 3 1 5 8 56.34 5.95 1.6329 2 2 0 4 56.64 1.97 1.6251 2 2 1 8 56.74 2.15 1.6225 4 0 1 4 57.21 3.16 1.6101 1 1 9 8 57.24 2.49 1.6095 2 0 9 4 57.52 1.44 1.6024 2 2 2 8 57.96 2.91 1.5911 2 1 8 8 59.06 2.21 1.5642 4 0 3 4 59.29 5.99 1.5586 3 1 6 8 61.04 1.13 1.5181 4 0 4 4 61.07 8.55 1.5175 1 2 6 8 62.01 4.86 1.4965 4 1 0 4 62.76 6.11 1.4804 2 1 9 8 66.54 2.69 1.4052 0 1 11 4 66.59 2.80 1.4043 3 2 2 8 66.93 3.24 1.3980 0 2 8 4 67.92 5.20 1.3800 3 2 3 8 68.28 2.05 1.3737 1 1 11 8 68.30 1.34 1.3733 2 0 11 4 68.66 2.12 1.3669 1 2 8 8 72.10 2.70 1.3100 3 2 5 8 73.37 3.46 1.2905 2 1 11 8 73.74 2.48 1.2849 2 2 8 8 74.77 1.74 1.2696 5 0 3 4 74.92 2.31 1.2675 3 2 6 8 75.86 1.12 1.2541 0 3 1 4 77.61 1.38 1.2301 4 2 1 8 78.04 1.60 1.2244 2 2 9 8 78.75 1.58 1.2152 4 1 8 8 78.81 1.11 1.2144 5 0 5 4 79.18 1.44 1.2097 2 1 12 8 79.51 2.48 1.2055 1 3 3 8 79.62 1.55 1.2041 4 2 3 8 82.40 1.45 1.1704 1 0 14 4 86.36 2.71 1.1266 5 1 6 8 87.95 1.15 1.1103 2 2 11 8 ================================================================================ XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.