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Information card for entry 4341429
Preview
| Coordinates | 4341429.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | sodium_copper_selenide(1_6_4) |
|---|---|
| Formula | Cu5.67 Na Se4 |
| Calculated formula | Cu5.76 Na Se4 |
| Title of publication | NaCu6Se4: A Layered Compound with Mixed Valency and Metallic Properties |
| Authors of publication | Sturza, Mihai; Malliakas, Christos D.; Bugaris, Daniel E.; Han, Fei; Chung, Duck Young; Kanatzidis, Mercouri G. |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2014 |
| Pages of publication | 141031160814003 |
| a | 4.0465 ± 0.0003 Å |
| b | 4.0465 ± 0.0003 Å |
| c | 41.493 ± 0.005 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 588.39 ± 0.09 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 3 |
| 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 | 0.0651 |
| Residual factor for significantly intense reflections | 0.0616 |
| Weighted residual factors for significantly intense reflections | 0.1539 |
| Weighted residual factors for all reflections included in the refinement | 0.1563 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.147 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179517 (current) | 2016-03-23 | cif/4/34/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/34/14. |
4341429.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 {}' |
4341429.cif |
| 126149 | 2014-11-01 | cif/ Adding structures of 4341429 via cif-deposit CGI script. |
4341429.cif |
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Users of the data should acknowledge the original authors of the
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