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Information card for entry 2023519
Preview
| Coordinates | 2023519.cif |
|---|---|
| Structure factors | 2023519.hkl |
| Original IUCr paper | HTML |
| Common name | Calcium bi-tetrafluoroborate tetrahydrate |
|---|---|
| Chemical name | Calcium bis(tetrafluoroborate) tetrahydrate Ca(BF~4~)~2~.<i>x</i>H~2~O |
| Formula | B2 Ca F8 H8 O4 |
| Calculated formula | B2 Ca F8 H8 O4 |
| Title of publication | Ca(BF~4~)~2~.<i>x</i>H~2~O redefined from powder diffraction as hydrogen-bonded Ca(H~2~O)~4~(BF~4~)~2~ ribbons |
| Authors of publication | Armel Le Bail |
| Journal of publication | Acta Crystallographica, Section C |
| Year of publication | 2025 |
| Journal volume | 81 |
| Journal issue | 6 |
| Pages of publication | 338 - 341 |
| a | 5.5192 ± 0.0003 Å |
| b | 7.6756 ± 0.0003 Å |
| c | 11.6518 ± 0.0005 Å |
| α | 77.439 ± 0.003° |
| β | 89.579 ± 0.003° |
| γ | 88.625 ± 0.002° |
| Cell volume | 481.65 ± 0.04 Å3 |
| Cell temperature | 293 K |
| Ambient diffraction temperature | 293 K |
| Number of distinct elements | 5 |
| Space group number | 2 |
| Hermann-Mauguin space group symbol | P -1 |
| Hall space group symbol | -P 1 |
| Goodness-of-fit parameter for all reflections | 4.267 |
| Method of determination | powder diffraction |
| Diffraction radiation probe | x-ray |
| Diffraction radiation wavelength | 1.5418 Å |
| Diffraction radiation type | CuKα |
| Has coordinates | Yes |
| Has disorder | No |
| Has Fobs | Yes |
| Revision | Date | Message | Files |
|---|---|---|---|
| 300090 (current) | 2025-06-15 | cif/ hkl/ Adding structures of 2023519 via cif-deposit CGI script. |
2023519.cif 2023519.hkl |
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