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Information card for entry 4305862
Preview
| Coordinates | 4305862.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba3 O8 V2 |
|---|---|
| Calculated formula | Ba3 O8 V2 |
| SMILES | O=[V]([O-])([O-])[O-].[Ba+2].[Ba+2].[Ba+2].O=[V]([O-])([O-])[O-] |
| Title of publication | Isolation of Two-Dimensional 2:1 Cation-Ordered Perovskite Units by Anion Vacancy Ordering in Ba6Na2Nb2P2O17 |
| Authors of publication | Xiaojun Kuang; John B. Claridge; Tim Price; David M. Iddles; Matthew J. Rosseinsky |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2008 |
| Journal volume | 47 |
| Pages of publication | 8444 - 8450 |
| a | 5.79067 ± 0.0002 Å |
| b | 5.79067 Å |
| c | 21.321 ± 0.0013 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 619.15 ± 0.04 Å3 |
| Number of distinct elements | 3 |
| Space group number | 166 |
| Hermann-Mauguin space group symbol | R -3 m :H |
| Hall space group symbol | -R 3 2" |
| Goodness-of-fit parameter for all reflections | 1.54 |
| Method of determination | powder diffraction |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179096 (current) | 2016-03-23 | cif/4/30/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/30/58. |
4305862.cif |
| 120081 | 2014-07-12 | Adding DOIs to range 4/30 structures. | 4305862.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4305862.cif |
| 5312 | 2011-01-03 | cif/ Adding files, updated with the 'cif_fix_enum' program and the cif_core.dic dictionary. The enumerator values were fixed, mostly incorrect case, but also some values that had extra underscores, dashes or spaces. Unfortunately, 22 had non-ASCII characters with the 8-th bit set, and these got incorrectly interpreted as latin1 characters and converted to their UTF8 equivalents by Perl. To fix the structures, however, they need to be redeposited from the original files with the new CIFParser/cif_filter version. |
4305862.cif |
| 1167 | 2010-05-13 | cif/ Adding data from the rest of 2009 RSC journals, Inorg-Chem-2008 and Chem-Comm-2010_18-19. |
4305862.cif |
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