Crystallography Open Database

Information card for entry 4335589

Preview

Coordinates	4335589.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ga4 Ge Pb4 S12
Calculated formula	Ga4 Ge Pb4 S12
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	12.6726 ± 0.0015 Å
b	12.6726 ± 0.0015 Å
c	6.1281 ± 0.0014 Å
α	90°
β	90°
γ	90°
Cell volume	984.1 ± 0.3 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	0.0631
Residual factor for significantly intense reflections	0.056
Weighted residual factors for significantly intense reflections	0.0881
Weighted residual factors for all reflections included in the refinement	0.0914
Goodness-of-fit parameter for all reflections included in the refinement	1.037
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.	4335589.cif
101523	2014-02-14	cif/ Adding structures of 4335589 via cif-deposit CGI script.	4335589.cif