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Information card for entry 2104688
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| Coordinates | 2104688.cif |
|---|---|
| Structure factors | 2104688.hkl |
| Original IUCr paper | HTML |
| Formula | Ca O6 Sr2 W |
|---|---|
| Calculated formula | Ca O6 Sr2 W |
| SMILES | [Sr+2].[Sr+2].[Ca+2].[W]([O-])([O-])([O-])([O-])([O-])[O-] |
| Title of publication | Crystal growth and twinned crystal structure of Sr~2~CaWO~6~ |
| Authors of publication | Madariaga, G.; Faik, A.; Breczewski, T.; Igartua, J. M. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2010 |
| Journal volume | 66 |
| Journal issue | 2 |
| Pages of publication | 109 - 116 |
| a | 5.8 ± 0.002 Å |
| b | 5.813 ± 0.002 Å |
| c | 8.207 ± 0.005 Å |
| α | 90° |
| β | 89.966 ± 0.005° |
| γ | 90° |
| Cell volume | 276.7 ± 0.2 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0681 |
| Residual factor for significantly intense reflections | 0.042 |
| Weighted residual factors for significantly intense reflections | 0.124 |
| Weighted residual factors for all reflections included in the refinement | 0.1339 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.04 |
| Diffraction radiation wavelength | 0.71069 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 223448 (current) | 2019-11-07 | cif/2 Fixing Z values and formulae |
2104688.cif 2104688.hkl |
| 180905 | 2016-04-02 | hkl/2/10/ (antanas@echidna) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 2/10/46. |
2104688.cif 2104688.hkl |
| 176435 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries from ranges 1, 2. |
2104688.cif 2104688.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2104688.cif 2104688.hkl |
| 88064 | 2013-08-29 | Adding _cod_database_fobs_code data item to all COD CIFs that have Fobs deposited and did not have this data item yet. | 2104688.cif 2104688.hkl |
| 26848 | 2011-09-28 | cif/2/, hkl/2/, html/ Reorganising CIFs of the range 2* into the "prefix-directory" tree. |
2104688.cif 2104688.hkl |
| 1157 | 2010-05-06 | hkl/ Adding Fobs data for the recent IUCr deposition. |
2104688.cif 2104688.hkl |
| 1146 | 2010-05-03 | cif/2/ Adding CIFs from the recent Acta Cryst. B, C and J. Appl. Cryst. deposition. |
2104688.cif |
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Users of the data should acknowledge the original authors of the
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