Information card for entry 4003691
Formula |
Ba Bi Cs3 O14 P4 |
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 |
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https://www.crystallography.net/4003691.html