Crystallography Open Database

Information card for entry 4002155

Preview

Coordinates	4002155.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	Ga2 Pb Se6 Si
Calculated formula	Ga2 Pb Se6 Si
Title of publication	PbGa2MSe6(M = Si, Ge): Two Exceptional Infrared Nonlinear Optical Crystals
Authors of publication	Luo, Zhong-Zhen; Lin, Chen-Sheng; Cui, Hong-Hua; Zhang, Wei-Long; Zhang, Hao; Chen, Hong; He, Zhang-Zhen; Cheng, Wen-Dan
Journal of publication	Chemistry of Materials
Year of publication	2015
Journal volume	27
Journal issue	3
Pages of publication	914
a	7.188 ± 0.005 Å
b	23.171 ± 0.019 Å
c	7.044 ± 0.005 Å
α	90°
β	116.25 ± 0.03°
γ	90°
Cell volume	1052.2 ± 1.4 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
Number of distinct elements	4
Space group number	9
Hermann-Mauguin space group symbol	C 1 c 1
Hall space group symbol	C -2yc
Residual factor for all reflections	0.0503
Residual factor for significantly intense reflections	0.0368
Weighted residual factors for significantly intense reflections	0.0774
Weighted residual factors for all reflections included in the refinement	0.1209
Goodness-of-fit parameter for all reflections included in the refinement	0.962
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	Yes
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.	4002155.cif
132776	2015-03-04	cif/ Updating files of 4002155, 4002156 Original log message: Adding full bibliography for 4002155--4002156.cif.	4002155.cif
129763	2015-01-17	cif/ Adding structures of 4002155, 4002156 via cif-deposit CGI script.	4002155.cif