Crystallography Open Database
- COD Home
- Accessing COD Data
- Add Your Data
- Documentation
Information card for entry 2015343
Preview
Coordinates | 2015343.cif |
---|---|
Original IUCr paper | HTML |
Common name | barium fluoride chloride |
---|---|
Chemical name | heptabarium dodecafluoride dichloride |
Formula | Ba4.6667 Cl1.3333 F8 |
Calculated formula | Ba4.66667 Cl1.33333 F8 |
Title of publication | A hexagonal 2<i>a</i>,<i>c</i> superstructure of Ba~7~F~12~Cl~2~ |
Authors of publication | Bernsteiner, Anita; Kubel, Frank |
Journal of publication | Acta Crystallographica Section C |
Year of publication | 2006 |
Journal volume | 62 |
Journal issue | 6 |
Pages of publication | i41 - i42 |
a | 21.3281 ± 0.0007 Å |
b | 21.3281 ± 0.0007 Å |
c | 4.1993 ± 0.0003 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 1654.29 ± 0.14 Å3 |
Cell temperature | 293 K |
Ambient diffraction temperature | 293 K |
Number of distinct elements | 3 |
Space group number | 174 |
Hermann-Mauguin space group symbol | P -6 |
Hall space group symbol | P -6 |
Residual factor for all reflections | 0.0652 |
Residual factor for significantly intense reflections | 0.0375 |
Weighted residual factors for all reflections included in the refinement | 0.0309 |
Goodness-of-fit parameter for all reflections | 2.382 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.3821 |
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/2015343.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.