Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 4513299
Preview
| Coordinates | 4513299.cif |
|---|---|
| Original paper (by DOI) | HTML |
| Formula | As2 O3 |
|---|---|
| Calculated formula | As2 O3 |
| Title of publication | Cascade of High-Pressure Transitions of Claudetite II and the First Polar Phase of Arsenic(III) Oxide |
| Authors of publication | Guńka, Piotr A.; Dranka, Maciej; Hanfland, Michael; Dziubek, Kamil F.; Katrusiak, Andrzej; Zachara, Janusz |
| Journal of publication | Crystal Growth & Design |
| Year of publication | 2015 |
| Journal volume | 15 |
| Journal issue | 8 |
| Pages of publication | 3950 |
| a | 7.9307 ± 0.0006 Å |
| b | 4.51054 ± 0.00018 Å |
| c | 8.783 ± 0.005 Å |
| α | 90° |
| β | 102.53 ± 0.02° |
| γ | 90° |
| Cell volume | 306.7 ± 0.18 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Cell measurement pressure | 1300000 ± 50000 kPa |
| Ambient diffracton pressure | 1300000 ± 50000 kPa |
| Number of distinct elements | 2 |
| Space group number | 14 |
| Hermann-Mauguin space group symbol | P 1 21/n 1 |
| Hall space group symbol | -P 2yn |
| Residual factor for all reflections | 0.0966 |
| Residual factor for significantly intense reflections | 0.085 |
| Weighted residual factors for significantly intense reflections | 0.2273 |
| Weighted residual factors for all reflections included in the refinement | 0.2471 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.118 |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 0.41427 Å |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |
| Revision | Date | Message | Files |
|---|---|---|---|
| 154542 (current) | 2015-09-05 | cif/ Updating files of 4513277, 4513278, 4513279, 4513280, 4513281, 4513282, 4513283, 4513284, 4513285, 4513286, 4513287, 4513288, 4513289, 4513290, 4513291, 4513292, 4513293, 4513294, 4513295, 4513296, 4513297, 4513298, 4513299, 4513300 Original log message: Adding full bibliography for 4513277--4513300.cif. |
4513299.cif |
| 139558 | 2015-06-25 | cif/ Adding structures of 4513277, 4513278, 4513279, 4513280, 4513281, 4513282, 4513283, 4513284, 4513285, 4513286, 4513287, 4513288, 4513289, 4513290, 4513291, 4513292, 4513293, 4513294, 4513295, 4513296, 4513297, 4513298, 4513299, 4513300 via cif-deposit CGI script. |
4513299.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.