Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1560348
Preview
Coordinates | 1560348.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | merwinite |
---|---|
Formula | Ca3 Mg O8 Si2 |
Calculated formula | Ca3 Mg O8 Si2 |
SMILES | [Si]([O-])([O-])([O-])[O-].[Si]([O-])([O-])([O-])[O-].[Ca+2].[Ca+2].[Mg+2].[Ca+2] |
Title of publication | A new Ca3MgSi2O8 compound and some of its thermodynamic properties |
Authors of publication | Bao, Xinjian; Zhang, Yanyao; Zhang, Zhigang; Zhang, Lifei; Liu, Xiaoyang; Dong, Jianjun; Liu, Xi |
Journal of publication | Journal of Solid State Chemistry |
Year of publication | 2017 |
Journal volume | 255 |
Pages of publication | 145 - 149 |
a | 9.344 ± 0.004 Å |
b | 5.308 ± 0.003 Å |
c | 13.29 ± 0.006 Å |
α | 90° |
β | 92.072 ± 0.007° |
γ | 90° |
Cell volume | 658.7 ± 0.6 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 15 |
Hermann-Mauguin space group symbol | C 1 2/c 1 |
Hall space group symbol | -C 2yc |
Residual factor for all reflections | 0.0709 |
Residual factor for significantly intense reflections | 0.0527 |
Weighted residual factors for significantly intense reflections | 0.131 |
Weighted residual factors for all reflections included in the refinement | 0.1412 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.035 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/1560348.html
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.