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Information card for entry 2105046
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| Coordinates | 2105046.cif |
|---|---|
| Structure factors | 2105046.hkl |
| Original IUCr paper | HTML |
| Formula | Ca4 Fe2 Mn0.5 O9 Ti0.5 |
|---|---|
| Calculated formula | Ca4 Fe2.498 O9 Ti0.502 |
| Title of publication | Stacking faults and superstructures in a layered brownmillerite |
| Authors of publication | Krüger, H.; Stöber, S.; Welberry, T. R.; Withers, R. L.; Fitz Gerald, J. D. |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2011 |
| Journal volume | 67 |
| Journal issue | 6 |
| Pages of publication | 476 - 485 |
| a | 5.351 ± 0.0006 Å |
| b | 26.669 ± 0.003 Å |
| c | 5.4914 ± 0.0006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 783.65 ± 0.15 Å3 |
| Cell temperature | 298 K |
| Ambient diffraction temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 63 |
| Hermann-Mauguin space group symbol | A m m a |
| Hall space group symbol | -A 2a 2a |
| Residual factor for all reflections | 0.0253 |
| Residual factor for significantly intense reflections | 0.0231 |
| Weighted residual factors for significantly intense reflections | 0.033 |
| Weighted residual factors for all reflections included in the refinement | 0.0336 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.61 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 180909 (current) | 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 2/10/50. |
2105046.cif 2105046.hkl |
| 176432 | 2016-02-14 | cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries. |
2105046.cif 2105046.hkl |
| 125873 | 2014-10-25 | cod/ (saulius@koala.ibt.lt) Adding DOIs to 1887 Acta Cryst. CIFs, their DOIs fetched using ACCE codes. |
2105046.cif 2105046.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. | 2105046.cif 2105046.hkl |
| 31968 | 2012-01-03 | hkl/ Adding automatically assigned IUCr Fobs data for the rest of the year 2001 structures. |
2105046.cif 2105046.hkl |
| 31833 | 2012-01-02 | ../uploads/cif-deposit/cod/cif Adding structures of 2105046 via cif-deposit CGI script. |
2105046.cif |
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Users of the data should acknowledge the original authors of the
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