Crystallography Open Database

Information card for entry 7133801

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Coordinates	7133801.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ba2 F2 Ge Se3
Calculated formula	Ba2 F2 Ge Se3
Title of publication	Ba<sub>2</sub>GeF<sub>2</sub>Q<sub>3</sub> (Q = S, Se) and Ba<sub>3</sub>GeF<sub>2</sub>Se<sub>4</sub>: new F-based chalcohalides with enhanced birefringence.
Authors of publication	Li, Kaixuan; Wu, Hongping; Yu, Hongwei; Hu, Zhanggui; Wang, Jiyang; Wu, Yicheng
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2024
Journal volume	60
Journal issue	87
Pages of publication	12734 - 12737
a	12.8823 ± 0.0015 Å
b	19.118 ± 0.003 Å
c	6.4566 ± 0.001 Å
α	90°
β	90°
γ	90°
Cell volume	1590.2 ± 0.4 Å³
Cell temperature	294 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
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	0.0398
Residual factor for significantly intense reflections	0.0255
Weighted residual factors for significantly intense reflections	0.0624
Weighted residual factors for all reflections included in the refinement	0.0704
Goodness-of-fit parameter for all reflections included in the refinement	1.05
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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