Crystallography Open Database

Information card for entry 7241491

Preview

Coordinates	7241491.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Cu1.94 S4 Sn Zn1.06
Calculated formula	Cu1.94 S4 Sn Zn1.06
Title of publication	Cu2ZnSnS4 crystal growth using an SnCl2 based flux
Authors of publication	Kokh, K. A.; Atuchin, V. V.; Adichtchev, S. V.; Gavrilova, T. A.; Bakhadur, A. M.; Klimov, A. O.; Korolkov, I. V.; Kuratieva, N. V.; Mukherjee, S.; Pervukhina, N. V.; Surovtsev, N. V.
Journal of publication	CrystEngComm
Year of publication	2021
Journal volume	23
Journal issue	4
Pages of publication	1025 - 1032
a	5.4383 ± 0.0002 Å
b	5.4383 ± 0.0002 Å
c	10.8455 ± 0.0005 Å
α	90°
β	90°
γ	90°
Cell volume	320.76 ± 0.02 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 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	0.0092
Residual factor for significantly intense reflections	0.0092
Weighted residual factors for significantly intense reflections	0.0224
Weighted residual factors for all reflections included in the refinement	0.0224
Goodness-of-fit parameter for all reflections included in the refinement	1.053
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
261608 (current)	2021-02-05	cif/ Updating files of 7241491 Original log message: Adding full bibliography for 7241491.cif.	7241491.cif
259295	2020-11-29	cif/ Adding structures of 7241491 via cif-deposit CGI script.	7241491.cif