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Information card for entry 4329322
Preview
| Coordinates | 4329322.cif |
|---|---|
| Structure factors | 4329322.hkl |
| Original paper (by DOI) | HTML |
| Formula | In0.94 Ni0.04 O4 Ta1.02 |
|---|---|
| Calculated formula | In0.94451 Ni0.03699 O4 Ta1.01849 |
| Title of publication | Substitutional Mechanism of Ni into the Wide-Band-Gap Semiconductor InTaO4 and Its Implications for Water Splitting Activity in the Wolframite Structure Type |
| Authors of publication | Andrew C. Malingowski; Peter W. Stephens; Ashfia Huq; Qingzhen Huang; Syed Khalid; Peter G. Khalifah |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2012 |
| Journal volume | 51 |
| Pages of publication | 6096 - 6103 |
| a | 4.824528 ± 0.000027 Å |
| b | 5.773787 ± 0.00003 Å |
| c | 5.155303 ± 0.000025 Å |
| α | 90° |
| β | 91.3764 ± 0.0003° |
| γ | 90° |
| Cell volume | 143.564 ± 0.0013 Å3 |
| Number of distinct elements | 4 |
| Space group number | 13 |
| Hermann-Mauguin space group symbol | P 1 2/c 1 |
| Hall space group symbol | -P 2yc |
| RFsqd | 0.03132 |
| Goodness-of-fit parameter for all reflections | 0.91 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.697255 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181931 (current) | 2016-04-07 | hkl/4/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in subrange 4/32. |
4329322.cif 4329322.hkl |
| 180708 | 2016-04-02 | hkl/ (antanas@echidna.ibt.lt) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4329322.cif 4329322.hkl |
| 179396 | 2016-03-23 | cif/4/32/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/32/93. |
4329322.cif 4329322.hkl |
| 78371 | 2013-04-02 | cif/ hkl/ Adding structures of 4329322 via cif-deposit CGI script. |
4329322.cif 4329322.hkl |
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Users of the data should acknowledge the original authors of the
structural data.