Crystallography Open Database

Information card for entry 7249503

Preview

Coordinates	7249503.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl Cs O24 Se8 V4
Calculated formula	Cl Cs O24 Se8 V4
Title of publication	A new salt-inclusion compound CsCl·(VOSe2O5)4 showing nearly isolated spin-1/2 chain structure with a typical square lattice
Authors of publication	Xiang, Wenya; Wang, Guozhao; Zhao, Zhiying; Cui, Meiyan; He, Zhangzhen
Journal of publication	CrystEngComm
Year of publication	2024
Journal volume	26
Journal issue	45
Pages of publication	6392 - 6395
a	12.7443 ± 0.0004 Å
b	12.7443 ± 0.0004 Å
c	7.1295 ± 0.0004 Å
α	90°
β	90°
γ	90°
Cell volume	1157.95 ± 0.08 Å³
Cell temperature	99.99 ± 0.1 K
Ambient diffraction temperature	99.99 ± 0.1 K
Number of distinct elements	5
Space group number	79
Hermann-Mauguin space group symbol	I 4
Hall space group symbol	I 4
Residual factor for all reflections	0.0481
Residual factor for significantly intense reflections	0.0383
Weighted residual factors for significantly intense reflections	0.0796
Weighted residual factors for all reflections included in the refinement	0.0832
Goodness-of-fit parameter for all reflections included in the refinement	0.952
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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