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Information card for entry 1529460
Preview
| Coordinates | 1529460.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | Ba3 O8 P2 |
|---|---|
| Calculated formula | Ba3 O8 P2 |
| SMILES | [Ba+2].[Ba+2].[O-]P(=O)([O-])[O-].[Ba+2].[O-]P(=O)([O-])[O-] |
| Title of publication | Discovery of New Solid Solution Phosphors via Cation Substitution-Dependent Phase Transition in M3(PO4)2:Eu2+ (M = Ca/Sr/Ba) Quasi-Binary Sets |
| Authors of publication | Haipeng Ji; Zhaohui Huang; Zhiguo Xia; Maxim S. Molokeev; Victor V. Atuchin; Minghao Fang; Yangai Liu |
| Journal of publication | The Journal of Physical Chemistry C |
| Year of publication | 2015 |
| Journal volume | 119 |
| Journal issue | 0 |
| Pages of publication | 2038 - 2045 |
| a | 5.6019 ± 0.00032 Å |
| b | 5.6019 ± 0.00032 Å |
| c | 20.9878 ± 0.0012 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 570.39 ± 0.06 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 3 |
| Space group number | 166 |
| Hermann-Mauguin space group symbol | R -3 m :H |
| Hall space group symbol | -R 3 2" |
| Residual factor R(I) for significantly intense reflections | 3.32 |
| Goodness-of-fit parameter for all reflections | 2.181 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5406 Å |
| Diffraction radiation type | CuKα~1~~2~ |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 205493 (current) | 2018-01-23 | cif/ Removing the _chemical_name_mineral data item that contains an empty value from multiple files. |
1529460.cif |
| 176429 | 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. |
1529460.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. |
1529460.cif |
| 153673 | 2015-08-26 | cif/ Adding structures of 1529460 via cif-deposit CGI script. |
1529460.cif |
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Users of the data should acknowledge the original authors of the
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