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Information card for entry 4001761
Preview
| Coordinates | 4001761.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Al0.5 Nd9.772 O26 Si5.5 |
|---|---|
| Calculated formula | Al0.4998 Nd9.772 O26 Si5.5002 |
| Title of publication | Crystallographic Correlations with Anisotropic Oxide Ion Conduction in Aluminum-Doped Neodymium Silicate Apatite Electrolytes |
| Authors of publication | An, Tao; Baikie, Tom; Wei, Fengxia; Pramana, Stevin S.; Schreyer, Martin K.; Piltz, Ross O.; Shin, J. Felix; Wei, Jun; Slater, Peter R.; White, Tim J. |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2013 |
| Journal volume | 25 |
| Journal issue | 7 |
| Pages of publication | 1109 |
| a | 9.5567 Å |
| b | 9.5567 Å |
| c | 7.0563 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 558.115 Å3 |
| Cell temperature | 100 K |
| Ambient diffraction temperature | 100 K |
| Number of distinct elements | 4 |
| Space group number | 176 |
| Hermann-Mauguin space group symbol | P 63/m |
| Hall space group symbol | -P 6c |
| Residual factor for all reflections | 0.0483 |
| Residual factor for significantly intense reflections | 0.047 |
| Weighted residual factors for significantly intense reflections | 0.1217 |
| Weighted residual factors for all reflections included in the refinement | 0.1222 |
| Goodness-of-fit parameter for significantly intense reflections | 3.27 |
| Goodness-of-fit parameter for all reflections included in the refinement | 3.22 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 178377 (current) | 2016-03-20 | cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00. |
4001761.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 {}' |
4001761.cif |
| 85681 | 2013-05-07 | cif/ Adding structures of 4001761 via cif-deposit CGI script. |
4001761.cif |
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