Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1529243
Preview
| Coordinates | 1529243.cif |
|---|---|
| Structure factors | 1529243.hkl |
| Original paper (by DOI) | HTML |
| Formula | F4 H12 N3 Nb O4 |
|---|---|
| Calculated formula | F4.00002 H12 N3 Nb O4.00008 |
| Title of publication | Structural changes during phase transitions and the critical and noncritical order parameters in the (NH4)3Nb(O2)2F4 crystal |
| Authors of publication | M.S. Molokeev; S.V. Misyul |
| Journal of publication | Physics of the Solid State |
| Year of publication | 2012 |
| Journal volume | 54 |
| Journal issue | 1 |
| Pages of publication | 143 |
| a | 9.43787 ± 0.00006 Å |
| b | 9.43787 ± 0.00006 Å |
| c | 9.43787 ± 0.00006 Å |
| α | 90° |
| β | 90° |
| γ | 90° |
| Cell volume | 840.663 ± 0.009 Å3 |
| Cell temperature | 298 K |
| Number of distinct elements | 5 |
| Space group number | 225 |
| Hermann-Mauguin space group symbol | F m -3 m |
| Hall space group symbol | -F 4 2 3 |
| Residual factor R(I) for significantly intense reflections | 2.94 |
| 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 |
|---|---|---|---|
| 181862 (current) | 2016-04-06 | hkl/ (antanas@echidna.ibt.lt) Adding svn headers to multiple entries in range 1. |
1529243.cif 1529243.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. |
1529243.cif 1529243.hkl |
| 152370 | 2015-07-21 | cif/ hkl/ Adding structures of 1529243 via cif-deposit CGI script. |
1529243.cif 1529243.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.