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Information card for entry 4000750
Preview
| Coordinates | 4000750.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ce0.08 Na0.67 O1.5 Si0.5 |
|---|---|
| Calculated formula | Ce0.0833333 Na0.666667 O1.5 Si0.5 |
| Title of publication | Na8CeSi6O18and Its Ti-Doped Analogue Na8Ce0.73Ti0.27Si6O18with Interesting Photovoltaic Properties |
| Authors of publication | Wang, Xi; Li, Jiyang; Han, Yide; Li, Yi; Yu, Jihong; Xu, Ruren |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2011 |
| Journal volume | 23 |
| Journal issue | 11 |
| Pages of publication | 2842 |
| a | 10.442 ± 0.003 Å |
| b | 10.442 ± 0.003 Å |
| c | 13.216 ± 0.008 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 1248 ± 0.9 Å3 |
| Cell temperature | 296 ± 2 K |
| Ambient diffraction temperature | 296 ± 2 K |
| Number of distinct elements | 4 |
| Space group number | 166 |
| Hermann-Mauguin space group symbol | R -3 m :H |
| Hall space group symbol | -R 3 2" |
| Residual factor for all reflections | 0.0919 |
| Residual factor for significantly intense reflections | 0.0895 |
| Weighted residual factors for significantly intense reflections | 0.2186 |
| Weighted residual factors for all reflections included in the refinement | 0.2203 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.247 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176467 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 4. |
4000750.cif |
| 130086 | 2015-01-23 | cod/ (robertas@burundukas) The 'cif_fix_values' program was applied to CIFs that have generated the validation messages containing tag '_exptl_crystal_density_meas'. 16946 CIFs had a values that were perceived as 'not measured' and they were changed to '?'. The total of 17089 CIFs was changed. Those that were not corrected by 'cif_fix_values' were reformatted by the parser (e.g. a doi tag was moved to another place). The processing command was: mysql -u cod_reader -h www.crystallography.net cod -e \ 'select distinct codid from validation \ where message like \ "%tag%_exptl_crystal_density_meas'\''%"' -NB \ | xargs -i sh -c 'cif_fix_values {} \ | cif_filter --add-cif-header {} \ | sponge {}' |
4000750.cif |
| 91935 | 2013-12-29 | cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs. |
4000750.cif |
| 34929 | 2012-02-26 | ../uploads/cif-deposit/cod/cif Adding structures of 4000750 via cif-deposit CGI script. |
4000750.cif |
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