Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1000394
Preview
| Coordinates | 1000394.cif |
|---|---|
| External links | AMCSD |
| Chemical name | Barium copper carbonate difluoride |
|---|---|
| Formula | C Ba Cu F2 O3 |
| Calculated formula | C Ba Cu F2 O3 |
| Title of publication | Revision of the structure of Ba Cu (C O3) F2 by neutron diffraction |
| Authors of publication | Leblanc, M; Mercier, N; Attfield, J - P |
| Journal of publication | European Journal of Solid State Inorganic Chemistry |
| Year of publication | 1995 |
| Journal volume | 32 |
| Pages of publication | 535 - 538 |
| a | 4.8866 ± 0.0006 Å |
| b | 8.531 ± 0.001 Å |
| c | 9.582 ± 0.001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 399.5 Å3 |
| Number of distinct elements | 5 |
| Space group number | 57 |
| Hermann-Mauguin space group symbol | P b c m |
| Hall space group symbol | -P 2c 2b |
| Residual factor for all reflections | 0.017 |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 208902 (current) | 2018-07-07 | cif/1/ Correcting summary chemical formula in 78 entries by adding the omitted C component. |
1000394.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
1000394.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
1000394.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. |
1000394.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/' |
1000394.cif |
| 14 | 2008-01-14 | Appending a header with SVN keywords, COD URL and copying policy to all COD CIF files. |
1000394.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. |
1000394.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) |
1000394.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.