Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1560967
Preview
| Coordinates | 1560967.cif |
|---|---|
| Structure factors | 1560967.hkl |
| Original paper (by DOI) | HTML |
| Formula | Nd O14 P5 |
|---|---|
| Calculated formula | Nd O14 P5 |
| Title of publication | Host-guest prospects of neodymium and gadolinium ultraphosphate frameworks for nuclear waste storage: Multi-temperature topological analysis of nanoporous cages in RP5O14 |
| Authors of publication | Cramer, Alisha J.; Cole, Jacqueline M. |
| Journal of publication | Journal of Solid State Chemistry |
| Year of publication | 2018 |
| Journal volume | 266 |
| Pages of publication | 250 - 257 |
| a | 8.769 ± 0.003 Å |
| b | 9.014 ± 0.003 Å |
| c | 13.043 ± 0.004 Å |
| α | 90° |
| β | 90.344 ± 0.017° |
| γ | 90° |
| Cell volume | 1030.9 ± 0.6 Å3 |
| Cell temperature | 380 ± 2 K |
| Ambient diffraction temperature | 380 ± 2 K |
| Number of distinct elements | 3 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/c 1 |
| Hall space group symbol | -P 2ybc |
| Residual factor for all reflections | 0.0683 |
| Residual factor for significantly intense reflections | 0.0672 |
| Weighted residual factors for significantly intense reflections | 0.1829 |
| Weighted residual factors for all reflections included in the refinement | 0.1849 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.143 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 262923 (current) | 2021-03-09 | cif/ hkl/ Adding structures of 1560967 via cif-deposit CGI script. |
1560967.cif 1560967.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.