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Information card for entry 2240754
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| Coordinates | 2240754.cif |
|---|---|
| Structure factors | 2240754.hkl |
| Original IUCr paper | HTML |
| Chemical name | Dibarium calcium iron(II) dialuminium tetradecafluoride |
|---|---|
| Formula | Al2 Ba2 Ca1.31 F14 Fe0.69 |
| Calculated formula | Al2 Ba2 Ca1.31 F14 Fe0.69 |
| Title of publication | Crystal structure of the Fe-member of usovite |
| Authors of publication | Weil, Matthias |
| Journal of publication | Acta Crystallographica Section E |
| Year of publication | 2015 |
| Journal volume | 71 |
| Journal issue | 6 |
| Pages of publication | 640 - 643 |
| a | 13.7387 ± 0.0012 Å |
| b | 5.2701 ± 0.0005 Å |
| c | 14.759 ± 0.003 Å |
| α | 90° |
| β | 92.074 ± 0.014° |
| γ | 90° |
| Cell volume | 1067.9 ± 0.3 Å3 |
| Cell temperature | 293 ± 2 K |
| Ambient diffraction temperature | 293 ± 2 K |
| Number of distinct elements | 5 |
| 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 | 0.033 |
| Residual factor for significantly intense reflections | 0.0315 |
| Weighted residual factors for significantly intense reflections | 0.077 |
| Weighted residual factors for all reflections included in the refinement | 0.0782 |
| Goodness-of-fit parameter for all reflections included in the refinement | 1.092 |
| Diffraction radiation wavelength | 0.71073 Å |
| Diffraction radiation type | MoKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 181907 (current) | 2016-04-06 | hkl/2/24/ (antanas@echidna) Adding IUCr specific svn headers to multiple entries in subrange 2/24/07 |
2240754.cif 2240754.hkl |
| 176428 | 2016-02-13 | Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively. |
2240754.cif 2240754.hkl |
| 137015 | 2015-05-20 | cif/ hkl/ Adding structures of 2240754, 2240755 via cif-deposit CGI script. |
2240754.cif 2240754.hkl |
All data in the COD and the database itself are dedicated to the
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CC0
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.
Users of the data should acknowledge the original authors of the
structural data.