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Information card for entry 4321706
Preview
| Coordinates | 4321706.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | K21.30Na56.70Sn138 |
|---|---|
| Formula | K21.3 Na56.7 Sn138 |
| Calculated formula | K21.36 Na56.64 Sn138 |
| Title of publication | Synthesis and Characterization of A3Na10Sn23 (A = Cs, Rb, K) with a New Clathrate-Like Structure and of the Chiral Clathrate Rb5Na3Sn25 |
| Authors of publication | Svilen Bobev; Slavi C. Sevov |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2000 |
| Journal volume | 39 |
| Pages of publication | 5930 - 5937 |
| a | 12.456 ± 0.002 Å |
| b | 12.456 ± 0.002 Å |
| c | 50.559 ± 0.004 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 6793.4 ± 1.6 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 | 0.1263 |
| Residual factor for significantly intense reflections | 0.0667 |
| Weighted residual factors for significantly intense reflections | 0.138 |
| Weighted residual factors for all reflections included in the refinement | 0.1612 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.016 |
| 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. |
4321706.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 {}' |
4321706.cif |
| 120105 | 2014-07-12 | Adding DOIs to range 4/32 structures. | 4321706.cif |
| 34330 | 2012-02-24 | cif/4/ Reorganising CIF range 4 into a prefix tree. |
4321706.cif |
| 19471 | 2011-05-09 | ../uploads/cif-deposit/cod/cif Adding structures of 4321706 via cif-deposit CGI script. |
4321706.cif |
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Users of the data should acknowledge the original authors of the
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