Crystallography Open Database

Information card for entry 4001224

Preview

Coordinates	4001224.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ga2 Ge Li S6
Calculated formula	Ga2 Ge Li2 S6
Title of publication	Characterization of New Infrared Nonlinear Optical Material with High Laser Damage Threshold, Li2Ga2GeS6
Authors of publication	Kim, Youngsik; Seo, In-seok; Martin, Steve W.; Baek, Jaewook; Shiv Halasyamani, P.; Arumugam, Nachiappan; Steinfink, Hugo
Journal of publication	Chemistry of Materials
Year of publication	2008
Journal volume	20
Journal issue	19
Pages of publication	6048
a	11.943 ± 0.005 Å
b	22.59 ± 0.008 Å
c	6.805 ± 0.002 Å
α	90°
β	90°
γ	90°
Cell volume	1835.9 ± 1.1 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	43
Hermann-Mauguin space group symbol	F d d 2
Hall space group symbol	F 2 -2d
Residual factor for all reflections	0.0459
Residual factor for significantly intense reflections	0.0459
Weighted residual factors for significantly intense reflections	0.113
Weighted residual factors for all reflections included in the refinement	0.113
Goodness-of-fit parameter for all reflections included in the refinement	1.05
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
178377 (current)	2016-03-21	cif/4/ (antanas@kurmis) Replacing _[local]_cod_* tags with their equivalents from the COD CIF dictionary in multiple entries in subrange 4/00.	4001224.cif
91935	2013-12-29	cod/ (saulius@koala.ibt.lt) Adding DOIs that could be assigned unambiguously to the rest of COD CIFs.	4001224.cif
41925	2012-03-13	../uploads/cif-deposit/cod/cif Adding structures of 4001224 via cif-deposit CGI script.	4001224.cif