Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4123228
Preview
| Coordinates | 4123228.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Common name | AlPO4-54.xH2O |
|---|---|
| Formula | Al18 O111 P18 |
| Calculated formula | Al18 O108 P18 |
| Title of publication | Mechanism of H2O Insertion and Chemical Bond Formation in AlPO4-54·xH2O at High Pressure. |
| Authors of publication | Alabarse, Frederico G.; Rouquette, Jérôme; Coasne, Benoît; Haidoux, Abel; Paulmann, Carsten; Cambon, Olivier; Haines, Julien |
| Journal of publication | Journal of the American Chemical Society |
| Year of publication | 2015 |
| Journal volume | 137 |
| Journal issue | 2 |
| Pages of publication | 584 - 587 |
| a | 18.7342 ± 0.0009 Å |
| b | 18.7342 ± 0.0009 Å |
| c | 7.8979 ± 0.0003 Å |
| α | 90° |
| β | 90° |
| γ | 120° |
| Cell volume | 2400.56 ± 0.19 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Cell measurement pressure | 1200000 kPa |
| Ambient diffracton pressure | 1200000 kPa |
| Number of distinct elements | 3 |
| Space group number | 173 |
| Hermann-Mauguin space group symbol | P 63 |
| Hall space group symbol | P 6c |
| Residual factor for all reflections | 0.1071 |
| Residual factor for significantly intense reflections | 0.0647 |
| Weighted residual factors for significantly intense reflections | 0.1482 |
| Weighted residual factors for all reflections included in the refinement | 0.1854 |
| Goodness-of-fit parameter for all reflections included in the refinement | 0.976 |
| Diffraction radiation wavelength | 0.5 Å |
| Diffraction radiation type | synchrotron |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 179034 (current) | 2016-03-22 | cif/4/12/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/12/32. |
4123228.cif |
| 130646 | 2015-02-04 | cif/ Updating files of 4123227, 4123228, 4123229, 4123230, 4123231 Original log message: Adding full bibliography for 4123227--4123231.cif. |
4123228.cif |
| 129817 | 2015-01-17 | cif/ Adding structures of 4123228 via cif-deposit CGI script. |
4123228.cif |
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.