Crystallography Open Database

Information card for entry 7718547

Preview

Coordinates	7718547.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ga1.285 In0.715 Se3
Calculated formula	Ga1.25 In0.75 Se3
Title of publication	Unveiling the unique site preference of Ga in the defect wurtzite type In<sub>2</sub>Se<sub>3</sub>-Ga<sub>2</sub>Se<sub>3</sub> system: an experimental and computational study.
Authors of publication	Sethi, Siddha Sankalpa; Lakshan, Achintya; Roy, Ahin; Das, Siddhartha; Das, Karabi; Jana, Partha Pratim
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2025
Journal volume	54
Journal issue	21
Pages of publication	8673 - 8682
a	6.9173 ± 0.0003 Å
b	6.9173 ± 0.0003 Å
c	19.039 ± 0.0009 Å
α	90°
β	90°
γ	120°
Cell volume	788.95 ± 0.06 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	3
Space group number	169
Hermann-Mauguin space group symbol	P 61
Hall space group symbol	P 61
Residual factor for all reflections	0.0575
Residual factor for significantly intense reflections	0.0547
Weighted residual factors for significantly intense reflections	0.1483
Weighted residual factors for all reflections included in the refinement	0.1492
Goodness-of-fit parameter for significantly intense reflections	2.47
Goodness-of-fit parameter for all reflections included in the refinement	2.41
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

Version history

Revision	Date	Message	Files
300959 (current)	2025-07-06	cif/ Updating files of 7718544, 7718545, 7718546, 7718547, 7718548 Original log message: Adding full bibliography for 7718544--7718548.cif.	7718547.cif
299332	2025-04-19	cif/ Adding structures of 7718544, 7718545, 7718546, 7718547, 7718548 via cif-deposit CGI script.	7718547.cif