Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1000211
Preview
| Coordinates | 1000211.cif |
|---|
| Chemical name | Trisodium trilithium dichromium dodecafluoride |
|---|---|
| Formula | Cr2 F12 Li3 Na3 |
| Calculated formula | Cr2 F12 Li3 Na3 |
| SMILES | [Cr](F)(F)(F)([F-])([F-])[F-].[F-][Cr](F)(F)(F)([F-])[F-].[Na+].[Li+].[Na+].[Li+].[Na+].[Li+] |
| Title of publication | Les grenats fluores des elements de transition Na~3~ Li~3~ M~2~ F~12~ |
| Authors of publication | de Pape, R; Portier, J; Gauthier, G; Hagenmuller, P |
| Journal of publication | Comptes Rendus Hebdomadaires des Seances de l'Academie des Sciences, Serie C, Sciences Chimiques (1966-) |
| Year of publication | 1967 |
| Journal volume | 265 |
| Pages of publication | 1244 - 1246 |
| a | 12.328 ± 0.002 Å |
| b | 12.328 ± 0.002 Å |
| c | 12.328 ± 0.002 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1873.6 Å3 |
| Number of distinct elements | 4 |
| Space group number | 230 |
| Hermann-Mauguin space group symbol | I a -3 d |
| Hall space group symbol | -I 4bd 2c 3 |
| Residual factor for all reflections | 0.066 |
| 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. |
1000211.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1000211.cif |
| 1063 | 2010-03-31 | cif/ Fixing all author names that had '=' instead of ' ' (space sign): grep '^[0-9]' author-names-with-=.lst| awk '{print "../"substr($1,0,1)"/"$1".cif"}'| xargs -i sh -xc " perl -i -pe 's/=/ /g if /_publ_author_name/.../^_/' {}" and restoring journal names manualy afterwards. |
1000211.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. |
1000211.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/' |
1000211.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1000211.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. |
1000211.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) |
1000211.cif |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.