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CIF Information Card
Information card for 2015343
2015342 << 2015343 >> 2015344Preview
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Coordinates |
2015343.cif |
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Original IUCr paper |
HTML |
Structure parameters
| 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 ± 0.16 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 3 |
| Hermann-Mauguin symmetry space group | P-6 |
| Hall symmetry space group | P-6 |
| Residual factor for all reflections | 0.0652 |
| Residual factor for observed 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 observed reflections | 2.3821 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | No |