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Information card for entry 4003691
Preview
Coordinates | 4003691.cif |
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Original paper (by DOI) | HTML |
Formula | Ba Bi Cs3 O14 P4 |
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Calculated formula | Ba Bi Cs3 O14 P4 |
Title of publication | A3BBi(P2O7)2 (A = Rb, Cs; B = Pb, Ba): Isovalent Cation Substitution to Sustain Large Second-Harmonic Generation Responses |
Authors of publication | Qi, Lu; Chen, Zhaohui; Shi, Xuerui; Zhang, Xiaodong; Jing, Qun; Li, Na; Jiang, Zhongqi; Zhang, Bingbing; Lee, Ming-Hsien |
Journal of publication | Chemistry of Materials |
Year of publication | 2020 |
a | 9.4656 ± 0.0003 Å |
b | 9.9015 ± 0.0003 Å |
c | 17.6265 ± 0.0006 Å |
α | 90° |
β | 90° |
γ | 90° |
Cell volume | 1652.02 ± 0.09 Å3 |
Cell temperature | 273 ± 2 K |
Ambient diffraction temperature | 273 ± 2 K |
Number of distinct elements | 5 |
Space group number | 19 |
Hermann-Mauguin space group symbol | P 21 21 21 |
Hall space group symbol | P 2ac 2ab |
Residual factor for all reflections | 0.0258 |
Residual factor for significantly intense reflections | 0.0211 |
Weighted residual factors for significantly intense reflections | 0.0385 |
Weighted residual factors for all reflections included in the refinement | 0.0394 |
Goodness-of-fit parameter for all reflections included in the refinement | 0.907 |
Diffraction radiation wavelength | 0.71073 Å |
Diffraction radiation type | MoKα |
Has coordinates | Yes |
Has disorder | No |
Has Fobs | No |
Revision | Date | Message | Files |
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256809 (current) | 2020-09-29 | cif/ Adding structures of 4003691 via cif-deposit CGI script. |
4003691.cif |
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