Crystallography Open Database

Information card for entry 8105666

Preview

Coordinates	8105666.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	(Cu~0.51~In~0.49~)~tet~[Cr~1.74~In~0.26~]~oct~Se~4~ selenospinel
Formula	Cr1.74 Cu0.51 In0.75 Se4
Calculated formula	Cr1.74 Cu0.51 In0.75 Se4
Title of publication	Crystal structure of (Cu0.51In0.49)tet[Cr1.74In0.26]octSe4 selenospinel, Cu0.51In0.75Cr1.74Se4
Authors of publication	Moris, Silvana; Barahona, Patricia; Galdámez, Antonio
Journal of publication	Zeitschrift für Kristallographie - New Crystal Structures
Year of publication	2019
Journal volume	234
Journal issue	3
Pages of publication	421 - 422
a	10.6506 ± 0.0013 Å
b	10.6506 ± 0.0013 Å
c	10.6506 ± 0.0013 Å
α	90°
β	90°
γ	90°
Cell volume	1208.2 ± 0.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 0.2 K
Number of distinct elements	4
Space group number	227
Hermann-Mauguin space group symbol	F d -3 m :2
Hall space group symbol	-F 4vw 2vw 3
Residual factor for all reflections	0.0371
Residual factor for significantly intense reflections	0.0371
Weighted residual factors for significantly intense reflections	0.0911
Weighted residual factors for all reflections included in the refinement	0.0911
Goodness-of-fit parameter for all reflections included in the refinement	1.306
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
276737 (current)	2022-07-08	cif/ Adding structures of 8105666 via cif-deposit CGI script.	8105666.cif