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Information card for entry 4510300
Preview
Coordinates | 4510300.cif |
---|---|
Original paper (by DOI) | HTML |
Common name | K1.7Na1.3B6O10Br |
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Formula | B6 Br K1.7 Na1.3 O10 |
Calculated formula | B6 Br K1.697 Na1.303 O10 |
Title of publication | Noncentrosymmetric versus Centrosymmetric: Influence of the Na+Substitution on Structural Transition and Second-Harmonic Generation Property |
Authors of publication | Han, Shujuan; Wang, Ying; Pan, Shilie; Dong, Xiaoyu; Wu, Hongping; Han, Jian; Yang, Yun; Yu, Hongwei; Bai, Chunyan |
Journal of publication | Crystal Growth & Design |
Year of publication | 2014 |
Journal volume | 14 |
Journal issue | 4 |
Pages of publication | 1794 |
a | 12.867 ± 0.015 Å |
b | 9.93 ± 0.012 Å |
c | 8.001 ± 0.009 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1022 ± 2 Å3 |
Cell temperature | 296 ± 2 K |
Ambient diffraction temperature | 296 ± 2 K |
Number of distinct elements | 5 |
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 | 0.0667 |
Residual factor for significantly intense reflections | 0.0447 |
Weighted residual factors for significantly intense reflections | 0.1018 |
Weighted residual factors for all reflections included in the refinement | 0.1171 |
Goodness-of-fit parameter for all reflections included in the refinement | 1.053 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | Yes |
Has Fobs | No |
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The link is: https://www.crystallography.net/4510300.html
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