Information card for entry 2300699
Formula |
B Bi4 Br O7 |
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 |
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The link is:
https://www.crystallography.net/2300699.html