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Information card for entry 3000102
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Coordinates | 3000102.cif |
---|---|
Original paper (by DOI) | HTML |
Formula | B2 Ba O4 |
---|---|
Calculated formula | B2 Ba O4 |
Title of publication | Borates‒Crystal Structures of Prospective Nonlinear Optical Materials: High Anisotropy of the Thermal Expansion Caused by Anharmonic Atomic Vibrations |
Authors of publication | Bubnova, Rimma; Volkov, Sergey; Barbara Albert; Filatov, Stanislav |
Journal of publication | Crystals |
Year of publication | 2017 |
Journal volume | 7 |
Journal issue | 3 |
Pages of publication | 93 |
a | 12.582 ± 0.0015 Å |
b | 12.582 ± 0.0015 Å |
c | 12.7519 ± 0.0019 Å |
α | 90° |
β | 90° |
γ | 120° |
Cell volume | 1748.3 ± 0.4 Å3 |
Cell temperature | 223 K |
Ambient diffraction temperature | 223 K |
Number of distinct elements | 3 |
Space group number | 161 |
Hermann-Mauguin space group symbol | R 3 c :H |
Hall space group symbol | R 3 -2"c |
Residual factor for all reflections | 0.024 |
Residual factor for significantly intense reflections | 0.0237 |
Weighted residual factors for significantly intense reflections | 0.0294 |
Weighted residual factors for all reflections included in the refinement | 0.0295 |
Goodness-of-fit parameter for significantly intense reflections | 2.55 |
Goodness-of-fit parameter for all reflections included in the refinement | 2.54 |
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/3000102.html
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