Crystallography Open Database

Information card for entry 7246438

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Coordinates	7246438.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cl Ga Na2 S2
Calculated formula	Cl Ga Na2 S2
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	7.2885 ± 0.0002 Å
b	39.4434 ± 0.001 Å
c	7.2884 ± 0.0002 Å
α	90°
β	90°
γ	90°
Cell volume	2095.29 ± 0.1 Å³
Cell temperature	300 ± 2 K
Ambient diffraction temperature	300 ± 2 K
Number of distinct elements	4
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	0.0178
Residual factor for significantly intense reflections	0.0134
Weighted residual factors for significantly intense reflections	0.0295
Weighted residual factors for all reflections included in the refinement	0.032
Goodness-of-fit parameter for all reflections included in the refinement	1.078
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

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