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Information card for entry 2234031
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| Coordinates | 2234031.cif |
|---|---|
| Structure factors | 2234031.hkl |
| Original IUCr paper | HTML |
| Chemical name | Hafnium titanium pentatelluride |
|---|---|
| Formula | Hf0.78 Te5 Ti0.22 |
| Calculated formula | Hf0.781 Te5 Ti0.219 |
| Title of publication | Ti insertion in the <i>M</i>Te~5~ (<i>M</i> = Zr, Hf) structure type: Hf~0.78~Ti~0.22~Te~5~ |
| Authors of publication | Yu, Jaemin; Yun, Hoseop |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2012 |
| Journal volume | 68 |
| Journal issue | 3 |
| Pages of publication | i19 |
| a | 3.9595 ± 0.0003 Å |
| b | 14.435 ± 0.0013 Å |
| c | 13.7062 ± 0.0009 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 783.38 ± 0.11 Å3 |
| Cell temperature | 290 ± 1 K |
| Ambient diffraction temperature | 290 ± 1 K |
| Number of distinct elements | 3 |
| Space group number | 63 |
| Hermann-Mauguin space group symbol | C m c m |
| Hall space group symbol | -C 2c 2 |
| Residual factor for all reflections | 0.0303 |
| Residual factor for significantly intense reflections | 0.0287 |
| Weighted residual factors for all reflections included in the refinement | 0.0682 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.157 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181262 (current) | 2016-04-03 | hkl/2/23/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23/40. |
2234031.cif 2234031.hkl |
| 176798 | 2016-02-21 | cif/2/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/23. |
2234031.cif 2234031.hkl |
| 120072 | 2014-07-11 | Adding DOIs to range 2 structures. | 2234031.cif 2234031.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2234031.cif 2234031.hkl |
| 66590 | 2012-09-11 | hkl/ Adding assigned .htl files for the most recent IUCr data depositions. |
2234031.cif 2234031.hkl |
| 51296 | 2012-04-03 | ../uploads/cif-deposit/cod/cif Adding structures of 2234031 via cif-deposit CGI script. |
2234031.cif |
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Users of the data should acknowledge the original authors of the
structural data.