Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1529466
Preview
| Coordinates | 1529466.cif |
|---|---|
| Structure factors | 1529466.hkl |
| Original paper (by DOI) | HTML |
| Formula | Ca11 O28 P7 |
|---|---|
| Calculated formula | Ca11 O28 P7 |
| SMILES | [Ca+2].[Ca+2].[Ca+2].[O-]P(=O)([O-])[O-].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[Ca+2].[O-]P(=O)([O-])[O-].[Ca+2].[O-]P(=O)([O-])[O-].P(=O)([O-])([O-])[O-].P(=O)([O-])([O-])[O-].P(=O)([O-])([O-])[O-].P(=O)([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 | 10.4414 ± 0.0002 Å |
| b | 10.4414 ± 0.0002 Å |
| c | 37.4208 ± 0.00083 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 3533.14 ± 0.12 Å3 |
| Cell temperature | 300 K |
| Ambient diffraction temperature | 300 K |
| Number of distinct elements | 3 |
| Space group number | 161 |
| Hermann-Mauguin space group symbol | R 3 c :H |
| Hall space group symbol | R 3 -2"c |
| Residual factor R(I) for significantly intense reflections | 4.4 |
| Goodness-of-fit parameter for all reflections | 1.408 |
| 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 | Yes |
| 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. |
1529466.cif 1529466.hkl |
| 181862 | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in range 1. |
1529466.cif 1529466.hkl |
| 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. |
1529466.cif 1529466.hkl |
| 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. |
1529466.cif 1529466.hkl |
| 153679 | 2015-08-26 | cif/ hkl/ Adding structures of 1529466 via cif-deposit CGI script. |
1529466.cif 1529466.hkl |
All data in the COD and the database itself are dedicated to the
public domain and licensed under the
CC0
License
.
Users of the data should acknowledge the original authors of the
structural data.