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 1001206 _database_code_amcsd 0013461 CELL PARAMETERS: 6.5340 3.7770 16.6750 90.000 90.000 90.000 SPACE GROUP: Pnma X-RAY WAVELENGTH: 1.541838 Cell Volume: 411.521 Density (g/cm3): 3.579 MAX. ABS. INTENSITY / VOLUME**2: 44.48683983 RIR: 4.047 RIR based on corundum from Acta Crystallographica A38 (1982) 733-739 2-THETA INTENSITY D-SPACING H K L Multiplicity 10.61 100.00 8.3375 0 0 2 2 17.24 61.50 5.1429 1 0 2 4 20.98 5.35 4.2337 1 0 3 4 21.31 5.20 4.1687 0 0 4 2 24.16 46.98 3.6837 0 1 1 4 25.34 4.07 3.5144 1 0 4 4 27.30 27.61 3.2670 2 0 0 2 27.83 9.64 3.2060 2 0 1 4 28.57 20.62 3.1240 0 1 3 4 29.34 1.43 3.0442 1 1 2 8 29.36 7.07 3.0418 2 0 2 4 30.08 4.06 2.9704 1 0 5 4 31.75 41.74 2.8184 1 1 3 8 31.77 2.06 2.8165 2 0 3 4 35.09 25.85 2.5574 1 0 6 4 36.36 6.18 2.4709 2 1 0 4 36.77 4.97 2.4442 2 1 1 8 38.56 9.49 2.3349 1 1 5 8 39.93 2.66 2.2579 2 1 3 8 40.30 1.73 2.2380 1 0 7 4 42.53 1.12 2.1256 2 1 4 8 42.92 6.19 2.1073 3 0 2 4 43.41 6.92 2.0844 0 0 8 2 44.69 10.15 2.0279 3 0 3 4 45.69 6.87 1.9858 1 0 8 4 47.21 1.67 1.9254 1 1 7 8 48.19 15.66 1.8885 0 2 0 2 49.49 3.11 1.8418 0 2 2 4 49.53 4.37 1.8402 3 1 2 8 50.02 4.54 1.8236 3 0 5 4 51.12 7.87 1.7866 3 1 3 8 51.55 5.48 1.7728 1 2 2 8 52.03 1.02 1.7577 1 1 8 8 52.04 3.76 1.7572 2 0 8 4 53.29 1.04 1.7189 3 1 4 8 53.45 4.14 1.7143 3 0 6 4 55.22 5.17 1.6634 0 1 9 4 56.00 5.21 1.6422 3 1 5 8 56.27 5.87 1.6350 2 2 0 4 56.56 1.83 1.6272 2 2 1 8 56.61 2.08 1.6257 4 0 1 4 57.14 3.73 1.6120 1 1 9 8 57.15 1.87 1.6116 2 0 9 4 57.44 1.69 1.6044 2 2 2 8 57.88 2.29 1.5932 2 1 8 8 58.93 2.22 1.5672 4 0 3 4 59.19 5.17 1.5610 3 1 6 8 60.99 8.51 1.5192 1 2 6 8 61.59 1.14 1.5059 3 0 8 4 61.89 4.56 1.4993 4 1 0 4 62.67 5.17 1.4823 2 1 9 8 66.46 3.02 1.4068 0 1 11 4 66.48 2.37 1.4064 3 2 2 8 66.85 3.01 1.3995 0 2 8 4 67.81 4.33 1.3820 3 2 3 8 68.19 1.22 1.3753 1 1 11 8 68.20 1.40 1.3751 2 0 11 4 68.57 2.98 1.3685 1 2 8 8 71.98 2.43 1.3118 3 2 5 8 73.26 3.86 1.2921 2 1 11 8 73.63 2.26 1.2864 2 2 8 8 74.60 1.48 1.2721 5 0 3 4 74.80 2.52 1.2693 3 2 6 8 75.77 1.04 1.2554 0 3 1 4 77.47 1.34 1.2321 4 2 1 8 77.93 1.19 1.2259 2 2 9 8 78.60 1.37 1.2171 4 1 8 8 78.63 1.07 1.2167 5 0 5 4 79.06 1.46 1.2112 2 1 12 8 79.41 2.19 1.2068 1 3 3 8 79.47 1.56 1.2060 4 2 3 8 82.28 1.35 1.1718 1 0 14 4 82.82 1.12 1.1655 4 1 9 8 83.37 1.04 1.1592 1 3 5 8 86.17 2.46 1.1286 5 1 6 8 87.82 1.19 1.1116 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.