Crystallography Open Database

Information card for entry 1561525

Preview

Coordinates	1561525.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ge In S4 Tl
Calculated formula	Ge In S4 Tl
Title of publication	Syntheses, structural variants and characterization of AInM′S4 (A=alkali metals, Tl; M′ = Ge, Sn) compounds; facile ion-exchange reactions of layered NaInSnS4 and KInSnS4 compounds
Authors of publication	Yohannan, Jinu P.; Vidyasagar, Kanamaluru
Journal of publication	Journal of Solid State Chemistry
Year of publication	2016
Journal volume	238
Pages of publication	291 - 302
a	12.997 ± 0.006 Å
b	12.997 ± 0.006 Å
c	12.997 ± 0.006 Å
α	90°
β	90°
γ	90°
Cell volume	2195.5 ± 1.8 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	205
Hermann-Mauguin space group symbol	P a -3
Hall space group symbol	-P 2ac 2ab 3
Residual factor for all reflections	0.1098
Residual factor for significantly intense reflections	0.0526
Weighted residual factors for significantly intense reflections	0.1003
Weighted residual factors for all reflections included in the refinement	0.1215
Goodness-of-fit parameter for all reflections included in the refinement	0.974
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
263939 (current)	2021-04-07	cif/ Adding structures of 1561522, 1561523, 1561524, 1561525, 1561526, 1561527, 1561528, 1561529, 1561530, 1561531, 1561532, 1561533 via cif-deposit CGI script.	1561525.cif