Crystallography Open Database

Information card for entry 1572690

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Coordinates	1572690.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Al3 Cs O21 Se8
Calculated formula	Al3 Cs O21 Se8
Title of publication	Reticular chemistry-aided Effective Design of New Second-Order Nonlinear Optical Selenites
Authors of publication	Li, Qian; Zheng, Yi; Wu, Hongping; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng; Yu, Hongwei
Journal of publication	Materials Horizons
Year of publication	2024
a	10.4188 ± 0.0006 Å
b	10.4188 ± 0.0006 Å
c	10.3323 ± 0.0008 Å
α	90°
β	90°
γ	120°
Cell volume	971.32 ± 0.11 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	190
Hermann-Mauguin space group symbol	P -6 2 c
Hall space group symbol	P -6c -2c
Residual factor for all reflections	0.0235
Residual factor for significantly intense reflections	0.0208
Weighted residual factors for significantly intense reflections	0.0424
Weighted residual factors for all reflections included in the refinement	0.0432
Goodness-of-fit parameter for all reflections included in the refinement	1.0526
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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