Crystallography Open Database

Information card for entry 7035178

Preview

Coordinates	7035178.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Li2 Se4 Sn Zn
Calculated formula	Li2 Se4 Sn Zn
Title of publication	Infrared nonlinear optical properties of lithium-containing diamond-like semiconductors Li2ZnGeSe4 and Li2ZnSnSe4.
Authors of publication	Zhang, Jian-Han; Clark, Daniel J.; Brant, Jacilynn A.; Sinagra, Charles W.; Kim, Yong Soo; Jang, Joon I.; Aitken, Jennifer A.
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2015
Journal volume	44
Journal issue	24
Pages of publication	11212 - 11222
a	6.6848 ± 0.0001 Å
b	7.0303 ± 0.0001 Å
c	8.3234 ± 0.0001 Å
α	90°
β	90.05 ± 0.001°
γ	90°
Cell volume	391.168 ± 0.009 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296 ± 2 K
Number of distinct elements	4
Space group number	7
Hermann-Mauguin space group symbol	P 1 n 1
Hall space group symbol	P -2yac
Residual factor for all reflections	0.0139
Residual factor for significantly intense reflections	0.0138
Weighted residual factors for significantly intense reflections	0.0335
Weighted residual factors for all reflections included in the refinement	0.0336
Goodness-of-fit parameter for all reflections included in the refinement	0.901
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
176428 (current)	2016-02-13	Replaced deprecated COD CIF data names with their more modern alternatives. The _cod_cif_authors_sg_Hall and _cod_cif_authors_sg_H-M data items were renamed to _cod_original_sg_symbol_Hall and _cod_cif_authors_sg_H-M respectively.	7035178.cif
143596	2015-07-11	cif/ Updating files of 7035177, 7035178 Original log message: Adding full bibliography for 7035177--7035178.cif.	7035178.cif
136644	2015-05-16	cif/ Adding structures of 7035177, 7035178 via cif-deposit CGI script.	7035178.cif