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Information card for entry 4002591
Preview
| Coordinates | 4002591.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba Co2 Gd O5.389 |
|---|---|
| Calculated formula | Ba Co2 Gd O5.38889 |
| Title of publication | Structural Evolution of GdBaCo2O5+δ(δ = 7/18) at Elevated Temperatures |
| Authors of publication | Ishizawa, Nobuo; Asaka, Toru; Kudo, Tatsunari; Fukuda, Koichiro; Yasuhara, Akira; Abe, Nobuyuki; Arima, Taka-hisa |
| Journal of publication | Chemistry of Materials |
| Year of publication | 2014 |
| Pages of publication | 141114094038007 |
| a | 11.6767 ± 0.0001 Å |
| b | 11.6767 ± 0.0001 Å |
| c | 7.5247 ± 0.0001 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 1025.96 ± 0.018 Å3 |
| Cell temperature | 294 K |
| Ambient diffraction temperature | 294 K |
| Number of distinct elements | 4 |
| 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 | 0.0428 |
| Residual factor for significantly intense reflections | 0.0311 |
| Weighted residual factors for significantly intense reflections | 0.0585 |
| Weighted residual factors for all reflections included in the refinement | 0.061 |
| Goodness-of-fit parameter for significantly intense reflections | 2.03 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.79 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 176429 (current) | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_chemical_formula_sum_orig tag with _cod_original_formula_sum tag in multiple entries since the replaced tag is deprecated according to the COD CIF dictionary. |
4002591.cif |
| 176428 | 2016-02-13 | cif/ (antanas@kurmis) Replacing _cod_cif_authors_sg_Hall tag with _cod_original_sg_symbol_Hall tag and _cod_cif_authors_sg_H-M tag with _cod_original_sg_symbol_H-M tag in multiple entries sine the replaced tags are deprecated according to the COD CIF dictionary. |
4002591.cif |
| 160947 | 2015-10-07 | cif/ Adding structures of 4002591, 4002592, 4002593, 4002594, 4002595, 4002596, 4002597, 4002598, 4002599, 4002600, 4002601, 4002602, 4002603, 4002604, 4002605, 4002606, 4002607, 4002608, 4002609, 4002610, 4002611, 4002612, 4002613, 4002614, 4002615, 4002616, 4002617, 4002618, 4002619, 4002620, 4002621, 4002622, 4002623, 4002624 via cif-deposit CGI script. |
4002591.cif |
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Users of the data should acknowledge the original authors of the
structural data.