Crystallography Open Database

Information card for entry 4329960

Preview

Coordinates	4329960.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	K0.5 S2 Sn0.75 Zn0.25
Calculated formula	K0.5 S2 Sn0.75 Zn0.25
Title of publication	Phase-Change Materials Exhibiting Tristability: Interconverting Forms of Crystalline α-, β-, and Glassy K2ZnSn3S8
Authors of publication	Zohreh Hassanzadeh Fard; Mercouri G. Kanatzidis
Journal of publication	Inorganic Chemistry
Year of publication	2012
Journal volume	51
Pages of publication	7963 - 7965
a	13.126 ± 0.002 Å
b	13.126 ± 0.002 Å
c	13.126 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	2261.5 ± 0.6 Å³
Cell temperature	100 ± 2 K
Ambient diffraction temperature	100 ± 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	0.0552
Residual factor for significantly intense reflections	0.0481
Weighted residual factors for significantly intense reflections	0.1347
Weighted residual factors for all reflections included in the refinement	0.139
Goodness-of-fit parameter for all reflections included in the refinement	1.115
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
176432 (current)	2016-02-14	cif/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries.	4329960.cif
79203	2013-04-04	cif/ Adding structures of 4329960 via cif-deposit CGI script.	4329960.cif