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Information card for entry 7244950
Preview
Coordinates | 7244950.cif |
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Original paper (by DOI) | HTML |
Formula | Ag3 B6 I O10 |
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Calculated formula | Ag2.999 B6 I O10 |
Title of publication | Where the extraordinaries meet: a cascade of isosymmetrical superionic phase transitions and negative thermal expansion in a novel silver salt-inclusion borate halide |
Authors of publication | Volkov, Sergey; Charkin, Dmitri O.; Arsentev, Maxim; Aksenov, Sergey; Manelis, Lev; Krzhizhanovskaya, Maria; Sinelshikova, Olga; Ugolkov, Valeriy Leonidovich; Povolotskiy, Alexey; Shilovskikh, Vladimir; Antonov, Andrey; Bubnova, Rimma |
Journal of publication | CrystEngComm |
Year of publication | 2022 |
a | 12.7477 ± 0.0005 Å |
b | 9.5347 ± 0.0003 Å |
c | 8.5287 ± 0.0003 Å |
α | 90 ± 0.003° |
β | 90 ± 0.003° |
γ | 90 ± 0.003° |
Cell volume | 1036.63 ± 0.06 Å3 |
Cell temperature | 393 ± 5 K |
Ambient diffraction temperature | 393 K |
Number of distinct elements | 4 |
Space group number | 62 |
Hermann-Mauguin space group symbol | P n m a |
Hall space group symbol | -P 2ac 2n |
Residual factor for all reflections | 0.0794 |
Residual factor for significantly intense reflections | 0.0599 |
Weighted residual factors for significantly intense reflections | 0.0744 |
Weighted residual factors for all reflections included in the refinement | 0.0761 |
Goodness-of-fit parameter for significantly intense reflections | 3.73 |
Goodness-of-fit parameter for all reflections included in the refinement | 3.21 |
Diffraction radiation probe | x-ray |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
For the version history of this entry, please navigate to main COD server.
The link is: https://www.crystallography.net/7244950.html
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Users of the data should acknowledge the original authors of the
structural data.