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
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XPOW Copyright 1993 Bob Downs, Ranjini Swaminathan and Kurt Bartelmehs
For reference, see Downs et al. (1993) American Mineralogist 78, 1104-1107.