Crystallography Open Database

Information card for entry 7133084

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Coordinates	7133084.cif
Original paper (by DOI)	HTML

Structure parameters

Common name	Cs Al B O Cl
Chemical name	CsAlB3O6Cl
Formula	Al B3 Cl Cs O6
Calculated formula	Al B3 Cl Cs1.0001 O6
Title of publication	CsAlB3O6Cl: The rational construction of a KBBF-type structure with aligned 2∞ [AlB3O6Cl] layers via introducing unprecedented [AlO3Cl] tetrahedra
Authors of publication	Liu, Haoran; Jiao, Jiahao; Tudi, Abudukadi; Liu, Qingyu; Yang, Zhihua; Pan, Shilie; Zhang, Min
Journal of publication	Chemical Communications
Year of publication	2024
a	7.0716 ± 0.0004 Å
b	7.0716 ± 0.0004 Å
c	18.0458 ± 0.0019 Å
α	90°
β	90°
γ	120°
Cell volume	781.52 ± 0.1 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	5
Space group number	165
Hermann-Mauguin space group symbol	P -3 c 1
Hall space group symbol	-P 3 2"c
Residual factor for all reflections	0.0399
Residual factor for significantly intense reflections	0.0317
Weighted residual factors for significantly intense reflections	0.0771
Weighted residual factors for all reflections included in the refinement	0.0802
Goodness-of-fit parameter for all reflections included in the refinement	1.252
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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