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Information card for entry 1008049
Preview
| Coordinates | 1008049.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | AMCSD |
| Chemical name | Heptaoxotetratitanate |
|---|---|
| Formula | O7 Ti4 |
| Calculated formula | O7 Ti4 |
| SMILES | [Ti+3].[Ti+3].[Ti+4].[Ti+4].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2].[O-2] |
| Title of publication | Structural aspects of the metal-insulator transition in (Ti~0.9975~ V~0.0025~)~4~ O~7~ |
| Authors of publication | Hodeau, J L; Marezio, M |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 1979 |
| Journal volume | 29 |
| Pages of publication | 47 - 62 |
| a | 5.5943 ± 0.0005 Å |
| b | 7.1297 ± 0.0007 Å |
| c | 12.484 ± 0.001 Å |
| α | 95 ± 0.01° |
| β | 95.426 ± 0.009° |
| γ | 109.023 ± 0.009° |
| Cell volume | 464.9 Å3 |
| Number of distinct elements | 2 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | A -1 |
| Hall space group symbol | -P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z) |
| Residual factor for all reflections | 0.031 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 130149 (current) | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
1008049.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1008049.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1008049.cif |
| 966 | 2010-01-30 | cif/ Adding _cod_database_code tags to all COD entries. Adding tag description to the cif_cod.dic dictionary so that COD entries can be validated. |
1008049.cif |
| 19 | 2008-01-26 | Changing all end-of-line codes from DOS style to UNIX style in all COD CIF files, for more convenient processing: In the cod/cif/ directory: ff \*.cif | xargs perl -i -pe 's/\r\n/\n/' |
1008049.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1008049.cif |
| 13 | 2008-01-13 | Setting the svn:keywords property to "Author Date Revision URL Id" for all CIF files in the cod/cif directory. |
1008049.cif |
| 1 | 2007-11-30 | Adding all .cif files from the COD, downloaded in a Cod.zip file on 2007.02.07 (and the same Cod.zip is downloadable today, on 2007.11.29) |
1008049.cif |
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Users of the data should acknowledge the original authors of the
structural data.