Crystallography Open Database

Information card for entry 1563487

Preview

Coordinates	1563487.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu0.6 Ga0.567 In0.567 Se2
Calculated formula	Cu0.5995 Ga0.5667 In0.5667 Se2
Title of publication	Structural investigation of the Cu2Se‒In2Se3‒Ga2Se3 phase diagram, X-ray photoemission and optical properties of the Cu1−z(In0.5Ga0.5)1+z/3Se2 compounds
Authors of publication	Souilah, M.; Lafond, A.; Guillot-Deudon, C.; Harel, S.; Evain, M.
Journal of publication	Journal of Solid State Chemistry
Year of publication	2010
Journal volume	183
Journal issue	10
Pages of publication	2274 - 2280
a	5.666 ± 0.0005 Å
b	5.666 ± 0.0005 Å
c	11.2725 ± 0.0009 Å
α	90°
β	90°
γ	90°
Cell volume	361.89 ± 0.05 Å³
Cell temperature	293 K
Ambient diffraction temperature	293 K
Number of distinct elements	4
Space group number	121
Hermann-Mauguin space group symbol	I -4 2 m
Hall space group symbol	I -4 2
Residual factor for all reflections	0.1485
Residual factor for significantly intense reflections	0.0687
Weighted residual factors for significantly intense reflections	0.1285
Weighted residual factors for all reflections included in the refinement	0.153
Goodness-of-fit parameter for significantly intense reflections	1.71
Goodness-of-fit parameter for all reflections included in the refinement	1.45
Diffraction radiation wavelength	0.71069 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
266469 (current)	2021-06-15	cif/ Adding structures of 1563481, 1563482, 1563483, 1563484, 1563485, 1563486, 1563487, 1563488, 1563489, 1563490 via cif-deposit CGI script.	1563487.cif