Crystallography Open Database

Information card for entry 7246439

Preview

Coordinates	7246439.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl0.91 Ga I0.09 Na2 Se2
Calculated formula	Cl0.9075 Ga I0.0925 Na2 Se2
Title of publication	Flux-assisted polytypism in the [Na2Cl]GaQ2 heterolayered salt-inclusion chalcogenide family
Authors of publication	Berseneva, Anna A.; Klepov, Vladislav V.; Tisdale, Hunter B.; zur Loye, Hans-Conrad
Journal of publication	CrystEngComm
Year of publication	2023
Journal volume	25
Journal issue	15
Pages of publication	2307 - 2312
a	7.597 ± 0.002 Å
b	41.001 ± 0.011 Å
c	7.583 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2362 ± 1.1 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	299.85 K
Number of distinct elements	5
Space group number	63
Hermann-Mauguin space group symbol	C m c m
Hall space group symbol	-C 2c 2
Residual factor for all reflections	0.0439
Residual factor for significantly intense reflections	0.0402
Weighted residual factors for significantly intense reflections	0.1121
Weighted residual factors for all reflections included in the refinement	0.1173
Goodness-of-fit parameter for all reflections included in the refinement	1.145
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
283213 (current)	2023-05-05	cif/ Updating files of 7246434, 7246435, 7246436, 7246437, 7246438, 7246439 Original log message: Adding full bibliography for 7246434--7246439.cif.	7246439.cif
281895	2023-03-16	cif/ Adding structures of 7246434, 7246435, 7246436, 7246437, 7246438, 7246439 via cif-deposit CGI script.	7246439.cif