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Information card for entry 2300699
Preview
Coordinates | 2300699.cif |
---|---|
Structure factors | 2300699.hkl |
Original paper (by DOI) | HTML |
Formula | B Bi4 Br O7 |
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Calculated formula | B Bi4 Br O7 |
Title of publication | When the difference between incommensurate and commensurate structures becomes elusive: the case of Bi4BO7 X (X = Cl, Br) oxyhalides |
Authors of publication | Volkov, Sergey; Arsent'ev, Maxim; Ugolkov, Valery; Povolotskiy, Alexey; Savchenko, Yevgeny; Krzhizhanovskaya, Maria; Bubnova, Rimma; Aksenov, Sergey |
Journal of publication | Journal of Applied Crystallography |
Year of publication | 2023 |
Journal volume | 56 |
Journal issue | 3 |
Pages of publication | 589 - 596 |
a | 3.9345 ± 0.0002 Å |
b | 13.2499 ± 0.0005 Å |
c | 3.9182 ± 0.0002 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 204.263 ± 0.017 Å3 |
Cell temperature | 297.7 ± 0.9 K |
Ambient diffraction temperature | 297.7 K |
Number of distinct elements | 4 |
Space group number | 71 |
Hermann-Mauguin space group symbol | I m m m |
Hall space group symbol | -I 2 2 |
Residual factor for all reflections | 0.086 |
Residual factor for significantly intense reflections | 0.0476 |
Weighted residual factors for significantly intense reflections | 0.0551 |
Weighted residual factors for all reflections included in the refinement | 0.0634 |
Goodness-of-fit parameter for significantly intense reflections | 2.6 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.22 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | Yes |
Revision | Date | Message | Files |
---|---|---|---|
284391 (current) | 2023-06-06 | cif/ Updating files of 2300698, 2300699 Original log message: Adding full bibliography for 2300698--2300699.cif. |
2300699.cif 2300699.hkl |
282630 | 2023-04-14 | cif/ hkl/ Adding structures of 2300698, 2300699 via cif-deposit CGI script. |
2300699.cif 2300699.hkl |
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Users of the data should acknowledge the original authors of the
structural data.