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Information card for entry 4336781
Preview
| Coordinates | 4336781.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | Holmium copper tellurite sulfate |
|---|---|
| Formula | Cu Ho2 O14 S2 Te2 |
| Calculated formula | Cu Ho2 O14 S2 Te2 |
| Title of publication | Thermochromism, the Alexandrite Effect, and Dynamic Jahn-Teller Distortions in Ho2Cu(TeO3)2(SO4)2 |
| Authors of publication | Jian Lin; Kariem Diefenbach; Justin N. Cross; Jean-Marie Babo; Thomas E. Albrecht-Schmitt |
| Journal of publication | Inorganic Chemistry |
| Year of publication | 2013 |
| Journal volume | 52 |
| Pages of publication | 13278 - 13281 |
| a | 5.1602 ± 0.0016 Å |
| b | 7.799 ± 0.002 Å |
| c | 8.095 ± 0.003 Å |
| α | 62.604 ± 0.002° |
| β | 73.937 ± 0.003° |
| γ | 85.21 ± 0.003° |
| Cell volume | 277.58 ± 0.15 Å3 |
| Cell temperature | 100 ± 2 K |
| Ambient diffraction temperature | 100 ± 2 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Residual factor for all reflections | 0.0208 |
| Residual factor for significantly intense reflections | 0.0201 |
| Weighted residual factors for significantly intense reflections | 0.0494 |
| Weighted residual factors for all reflections included in the refinement | 0.0497 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.079 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179470 (current) | 2016-03-23 | cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/67. |
4336781.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 {}' |
4336781.cif |
| 102798 | 2014-02-22 | cif/ Adding structures of 4336781 via cif-deposit CGI script. |
4336781.cif |
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