Crystallography Open Database

Information card for entry 7246435

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Coordinates	7246435.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ga Na2 Se3
Calculated formula	Ga Na2 Se3
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	21.819 ± 0.0004 Å
b	8.334 ± 0.0002 Å
c	6.8616 ± 0.0001 Å
α	90°
β	100.673 ± 0.001°
γ	90°
Cell volume	1226.13 ± 0.04 Å³
Cell temperature	299 ± 2 K
Ambient diffraction temperature	299.61 K
Number of distinct elements	3
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0215
Residual factor for significantly intense reflections	0.0172
Weighted residual factors for significantly intense reflections	0.0358
Weighted residual factors for all reflections included in the refinement	0.0384
Goodness-of-fit parameter for all reflections included in the refinement	1.079
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.	7246435.cif
281895	2023-03-16	cif/ Adding structures of 7246434, 7246435, 7246436, 7246437, 7246438, 7246439 via cif-deposit CGI script.	7246435.cif