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Information card for entry 8103037
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| Coordinates | 8103037.cif |
|---|
| Common name | Samarium-Strontium-Calcium orthoaluminotantalate |
|---|---|
| Chemical name | Guanidinium tetrabromomercurate(II) |
| Formula | Al2.9 Ca0.45 O12 Sm1.59 Sr2 Ta1.1 |
| Calculated formula | Al2.898 Ca0.454 O12 Sm1.592 Sr1.998 Ta1.102 |
| Title of publication | Crystal structure of samarium-strontium-calcium orthoaluminotantalate, (Sm0.40Sr0.50Ca0.10)(Al0.70Ta0.30)O3 |
| Authors of publication | Thorsten M. Gesing; Reinhard Uecker; Wei Zheng; J.-Christian Buhl |
| Journal of publication | Zeitschrift für Kristallographie - New Crystal Structures |
| Year of publication | 2010 |
| Journal volume | 225 |
| Journal issue | 1 |
| Pages of publication | 5 |
| a | 5.4174 ± 0.0008 Å |
| b | 5.4174 ± 0.0008 Å |
| c | 7.6426 ± 0.0015 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 224.3 ± 0.06 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 6 |
| Space group number | 82 |
| Hermann-Mauguin space group symbol | I -4 |
| Hall space group symbol | I -4 |
| Residual factor for all reflections | 0.0536 |
| Residual factor for significantly intense reflections | 0.0392 |
| Weighted residual factors for all reflections | 0.1387 |
| Weighted residual factors for significantly intense reflections | 0.1258 |
| Goodness-of-fit parameter for all reflections | 1.076 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.171 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176466 (current) | 2016-02-16 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in range 8. |
8103037.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 {}' |
8103037.cif |
| 35911 | 2012-02-28 | cif/ Reorganising ranges 1, 3, 5, 6 and 8 into a prefix-directory tree. |
8103037.cif |
| 13776 | 2011-03-06 | ../uploads/cif-deposit/cod/cif Adding structures of 8103037 via cif-deposit CGI script. |
8103037.cif |
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Users of the data should acknowledge the original authors of the
structural data.