Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 6000528
Preview
| Coordinates | 6000528.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | D16 Ge7 N Na3 O22 |
|---|---|
| Calculated formula | D15.6658 Ge7 N0.958 Na3 O21.9199 |
| Title of publication | The crystal-structures of Ag~4~Ge~7~O~16~·6D~2~O and Na~3~(ND~4~)Ge~7~O~16~·6D~2~O refined from high-resolution synchrotron radiation and neutron powder diffraction data |
| Authors of publication | Roberts, M. A.; Fitch, A. N. |
| Journal of publication | Journal of Physics and Chemistry of Solids |
| Year of publication | 1991 |
| Journal volume | 52 |
| Journal issue | 10 |
| Pages of publication | 1209 - 1218 |
| a | 7.769 ± 0.006 Å |
| b | 7.769 ± 0.006 Å |
| c | 7.769 ± 0.006 Å |
| α | 88.77 ± 0.05° |
| β | 88.77 ± 0.05° |
| γ | 88.77 ± 0.05° |
| Cell volume | 468.6 Å3 |
| Number of distinct elements | 5 |
| Space group number | 160 |
| Hermann-Mauguin space group symbol | R 3 m :R |
| Hall space group symbol | P 3* -2 |
| Residual factor R(I) for significantly intense reflections | 0.039 |
| Method of determination | powder diffraction |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 208815 (current) | 2018-07-04 | cif/6/00/05/ Normalising the occupancies reported by the authors in entries 6000527, 6000528 by dividing them by the atom site symmetry multiplicities. |
6000528.cif |
| 208814 | 2018-07-04 | cif/6/00/05/ Adding atomic coordinates, atomic displacement parameter values, space group information, R-factor values and other additional information in entries 6000527, 6000528 after consulting the original publication. It should be noted that some of the occupancy values reported by the authors exceed 1; these occupancies were most likely calculated by multiplying the site occupancy by the site symmetry multiplicity. The aforementioned occupancies were purposely not modified in this revision and will be changed in a separate commit. |
6000528.cif |
| 176292 | 2016-02-09 | cif/6/ (antanas@kurmis) Removing the _[local]_cod_text data item from multiple entries in range 6, since it held the same information as other data items in the entries (bibliography data items, for example). Also, bibliography was updated in several entries. |
6000528.cif |
| 130149 | 2015-01-27 | cod/ (saulius@kolibris) Deriving Hall space group symbols for 12003 CIFs using the 'cif_filter --estimate-spacegroup' command. |
6000528.cif |
| 120070 | 2014-07-11 | cif/ (saulius@koala.ibt.lt) Adding DOIs for structures in ranges 5, 6 and 8. |
6000528.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
6000528.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. |
6000528.cif |
| 878 | 2009-11-19 | cif/6/ Splitting the corrected 6.cif file, adding the splitted range 6 files: cif_split_primitive -o 6/ < 6.cif |
6000528.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.