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Information card for entry 2105796
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| Coordinates | 2105796.cif |
|---|---|
| Structure factors | 2105796.hkl |
| Original paper (by DOI) | HTML |
| Formula | Al0.3 Ba1.92 Ca0.2 Cu2.7 O6.76 Y0.88 |
|---|---|
| Calculated formula | Al0.31 Ba1.928 Ca0.2 Cu2.695 O6.76 Y0.884 |
| Title of publication | X-ray crystal structures of Al-doped (Y,Ca)Ba~2~Cu~3~O~7{-~<i>y</i>} whiskers |
| Authors of publication | Bertolotti, Federica; Calore, Leandro; Gervasio, Giuliana; Agostino, Angelo; Truccato, Marco; Operti, Lorenza |
| Journal of publication | Acta Crystallographica Section B |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 2 |
| Pages of publication | 236 - 242 |
| a | 3.8595 ± 0.0002 Å |
| b | 3.8595 ± 0.0002 Å |
| c | 11.6456 ± 0.0008 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 173.47 ± 0.017 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 6 |
| Space group number | 123 |
| Hermann-Mauguin space group symbol | P 4/m m m |
| Hall space group symbol | -P 4 2 |
| Residual factor for all reflections | 0.0164 |
| Residual factor for significantly intense reflections | 0.0158 |
| Weighted residual factors for significantly intense reflections | 0.0384 |
| Weighted residual factors for all reflections included in the refinement | 0.0387 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.381 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181876 (current) | 2016-04-06 | hkl/2/10/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/10/57. |
2105796.cif 2105796.hkl |
| 180915 | 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 2/10/57. |
2105796.cif 2105796.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. |
2105796.cif 2105796.hkl |
| 108730 | 2014-04-03 | cif/ hkl/ Adding structures of 2105794, 2105795, 2105796 via cif-deposit CGI script. |
2105796.cif 2105796.hkl |
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Users of the data should acknowledge the original authors of the
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