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Information card for entry 1000149
Preview
| Coordinates | 1000149.cif |
|---|---|
| Original paper (by DOI) | HTML |
| External links | AMCSD |
| Chemical name | Sodium calcium hexafluoroaluminate - α |
|---|---|
| Formula | Al Ca F6 Na |
| Calculated formula | Al Ca F6 Na |
| SMILES | [F-][Al](F)(F)(F)([F-])[F-].[Ca+2].[Na+] |
| Title of publication | Structure of α-NaCaAlF~6~ determined ab initio from conventional powder diffraction data |
| Authors of publication | Le Bail, A.; Hemon-Ribaud, A.; Courbion, G. |
| Journal of publication | European Journal of Solid State and Inorganic Chemistry |
| Year of publication | 1998 |
| Journal volume | 35 |
| Journal issue | 3 |
| Pages of publication | 265 - 272 |
| a | 8.7423 ± 0.0003 Å |
| b | 5.1927 ± 0.0002 Å |
| c | 20.35139 ± 0.0009 Å |
| α | 90° |
| β | 91.499 ± 0.002° |
| γ | 90° |
| Cell volume | 923.6 Å3 |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.052 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 182183 (current) | 2016-04-17 | cif/1/00/ (antanas@kurmis) Updating bibliography for entries 1000148-1000154. |
1000149.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
1000149.cif |
| 120071 | 2014-07-11 | Adding DOIs to range 1 structures. | 1000149.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1000149.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. |
1000149.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/' |
1000149.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1000149.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. |
1000149.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) |
1000149.cif |
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Users of the data should acknowledge the original authors of the
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