Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2104686
Preview
| Coordinates | 2104686.cif |
|---|---|
| Original IUCr paper | HTML |
| Chemical name | Bismuth Tungsten Oxide |
|---|---|
| Formula | Bi35.66 O66.51 W4.34 |
| Calculated formula | Bi35.66 O66.512 W4.34 |
| Title of publication | Re-investigation of the structure and crystal chemistry of the Bi~2~O~3~‒W~2~O~6~ `type (Ib)' solid solution using single-crystal neutron and synchrotron X-ray diffraction |
| Authors of publication | Sharma, Neeraj; Macquart, Rene B.; Avdeev, Maxim; Christensen, Mogens; McIntyre, Garry J.; Chen, Yu-Sheng; Ling, Chris D. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 2 |
| Pages of publication | 165 - 172 |
| a | 12.5576 ± 0.0004 Å |
| b | 12.5576 ± 0.0004 Å |
| c | 11.274 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1777.83 ± 0.14 Å3 |
| Cell temperature | 298 ± 2 K |
| Ambient diffraction temperature | 298 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 80 |
| Hermann-Mauguin space group symbol | I 41 |
| Hall space group symbol | I 4bw |
| Residual factor for all reflections | 0.276 |
| Residual factor for significantly intense reflections | 0.18 |
| Weighted residual factors for significantly intense reflections | 0.2228 |
| Weighted residual factors for all reflections included in the refinement | 0.2276 |
| Goodness-of-fit parameter for all reflections included in the refinement | 6.37 |
| Diffraction radiation probe | neutron |
| Diffraction radiation type | neutron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176432 (current) | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2104686.cif |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2104686.cif |
| 106285 | 2014-03-15 | cod/ (saulius@kolibris) Adding the '_diffrn_radiation_probe neutron' data item to those COD CIFs that declared neuron radiation in their _diffrn_radiation_type data field, and did not have a _diffrn_radiation_probe item yet: codsql 'select file from data where radiation is null and radType like "%neutron%"' -NB \ | codid2file \ | xargs -i sh -c 'test -f {} && ( set -x; echo _diffrn_radiation_probe neutron >> {} )' Two files that had no newlines at the end were fixed manually. |
2104686.cif |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2104686.cif |
| 5310 | 2011-01-02 | cif/ Running cif_fix_enum with the core CIF dictionary on COD ranges 2, 8 and 9. Range 9 remained unchanged, and in ranges 2 and 8 there were 17309 modified files, most changes were fixes enumerator case. |
2104686.cif |
| 1146 | 2010-05-03 | cif/2/ Adding CIFs from the recent Acta Cryst. B, C and J. Appl. Cryst. deposition. |
2104686.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.