Crystallography Open Database

Information card for entry 4335590

Preview

Coordinates	4335590.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ga4 Ge Pb4 Se12
Calculated formula	Ga4 Ge Pb4 Se12
Title of publication	Syntheses, Structures, and Nonlinear Optical Properties of Quaternary Chalcogenides: Pb4Ga4GeQ12 (Q = S, Se)
Authors of publication	Yu-Kun Chen; Mei-Chun Chen; Liu-Jiang Zhou; Ling Chen; Li-Ming Wu
Journal of publication	Inorganic Chemistry
Year of publication	2013
Journal volume	52
Pages of publication	8334 - 8341
a	13.064 ± 0.007 Å
b	13.064 ± 0.007 Å
c	6.31 ± 0.005 Å
α	90°
β	90°
γ	90°
Cell volume	1076.9 ± 1.2 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	114
Hermann-Mauguin space group symbol	P -4 21 c
Hall space group symbol	P -4 2n
Residual factor for all reflections	0.0602
Residual factor for significantly intense reflections	0.0534
Weighted residual factors for significantly intense reflections	0.1342
Weighted residual factors for all reflections included in the refinement	0.1385
Goodness-of-fit parameter for all reflections included in the refinement	1.069
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
179458 (current)	2016-03-23	cif/4/33/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/33/55.	4335590.cif
101524	2014-02-14	cif/ Adding structures of 4335590 via cif-deposit CGI script.	4335590.cif