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Information card for entry 2310764
Preview
| Coordinates | 2310764.cif |
|---|---|
| Original IUCr paper | HTML |
| Formula | Ba0.693 Ca0.307 Nb2 O6 |
|---|---|
| Calculated formula | Ba0.69456 Ca0.30672 Nb2 O6 |
| Title of publication | Incommensurate modulations of relaxor ferroelectric Ca0.24Ba0.76Nb2O6 (CBN24) and Ca0.31Ba0.69Nb2O6 (CBN31) |
| Authors of publication | Graetsch, Heribert A.; Pandey, Chandra Shehkar; Schreuer, Jürgen; Burianek, Manfred; Mühlberg, Manfred |
| Journal of publication | Acta Crystallographica, Section B: Structural Science, Crystal Engineering and Materials |
| Year of publication | 2014 |
| Journal volume | 70 |
| Journal issue | 4 |
| Pages of publication | 743 - 749 |
| a | 12.4608 ± 0.0005 Å |
| b | 12.4608 ± 0.0005 Å |
| c | 7.9185 ± 0.0007 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1229.52 ± 0.13 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 4 |
| Space group number | 100 |
| Hermann-Mauguin space group symbol | P 4 b m (a,b,2*c) |
| Hall space group symbol | P 4 -2ab (x,y,1/2*z) |
| Residual factor for all reflections | 0.0317 |
| Residual factor for significantly intense reflections | 0.0296 |
| Weighted residual factors for significantly intense reflections | 0.0459 |
| Weighted residual factors for all reflections included in the refinement | 0.0467 |
| Goodness-of-fit parameter for significantly intense reflections | 2.11 |
| Goodness-of-fit parameter for all reflections included in the refinement | 2.02 |
| Diffraction radiation wavelength | 0.7107 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 201409 (current) | 2017-09-28 | cif/2/31/07/ Updating bibliography in entries 2310762-2310766. |
2310764.cif |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2310764.cif |
| 160950 | 2015-10-07 | cif/ Adding structures of 2310762, 2310763, 2310764 via cif-deposit CGI script. |
2310764.cif |
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Users of the data should acknowledge the original authors of the
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