Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 1548109
Preview
Coordinates | 1548109.cif |
---|---|
Original paper (by DOI) | HTML |
Chemical name | Barium Fluoride Orthoborate |
---|---|
Formula | B7.25 Ba12 F2.25 O21.75 |
Calculated formula | B7.195 Ba12 F2.513 O21.582 |
Title of publication | New fluoride borate with ‘anti-zeolite’ structure: A possible link to Ba 3 (BO 3 ) 2 |
Authors of publication | Rashchenko, Sergey V.; Bekker, Tatyana B.; Bakakin, Vladimir V.; Seryotkin, Yurii V.; Simonova, Ekaterina A.; Goryainov, Sergey V. |
Journal of publication | Journal of Alloys and Compounds |
Year of publication | 2017 |
Journal volume | 694 |
Pages of publication | 1196 |
a | 13.60119 ± 0.00016 Å |
b | 13.65014 ± 0.00016 Å |
c | 14.87279 ± 0.00015 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 2761.25 ± 0.05 Å3 |
Cell temperature | 293 ± 2 K |
Ambient diffraction temperature | 293 ± 2 K |
Number of distinct elements | 4 |
Space group number | 55 |
Hermann-Mauguin space group symbol | P b a m |
Hall space group symbol | -P 2 2ab |
Residual factor for all reflections | 0.0504 |
Residual factor for significantly intense reflections | 0.0368 |
Weighted residual factors for significantly intense reflections | 0.0758 |
Weighted residual factors for all reflections included in the refinement | 0.082 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.058 |
Diffraction radiation wavelength | 0.7107 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
---|---|---|---|
203309 (current) | 2017-11-18 | cif/ Adding structures of 1548109 via cif-deposit CGI script. |
1548109.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.