title: Pb5Ga6ZnS15: a noncentrosymmetric framework with chains of T2-supertetrahedra.
abstract: A novel noncentrosysmmetric sulfide, Pb5Ga6ZnS15 (1), was synthesized for the first time. Its crystal structure revealed the presence of [GaS2](-)∞ (chain 1, chains of [GaS4](5-) tetrahedra) and [Ga4S9](6-)∞ (chain 2, chains of T2-supertetrahedra) connected by isolated [ZnS4](6-) tetrahedra. Structure correlation with the network constructed solely using chain 1 (Pb4Ga4GeQ12-type) is discussed. Pb5Ga6ZnS15 was calculated to have a suitable static briefringence (Δn) of 0.1137, and a large nonlinear optical susceptibility d31 of 58.32 pm V(-1) at a wavelength of 2.05 μm (0.6 eV), much higher than that of the benchmark AgGaS2 (18.14 pm V(-1)).
authors.affiliation: Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, People's Republic of China. liming_wu@fjirsm.ac.cn and University of Chinese Academy of Sciences, Beijing 100039, People's Republic of China.
authors.forename: Rui-Huan
authors.initials: RH
authors.lastname: Duan
authors.affiliation: Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, People's Republic of China. liming_wu@fjirsm.ac.cn and University of Chinese Academy of Sciences, Beijing 100039, People's Republic of China.
authors.forename: Ju-Song
authors.initials: JS
authors.lastname: Yu
authors.affiliation: Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, People's Republic of China. liming_wu@fjirsm.ac.cn.
authors.forename: Hua
authors.initials: H
authors.lastname: Lin
authors.affiliation: Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, People's Republic of China. liming_wu@fjirsm.ac.cn and University of Chinese Academy of Sciences, Beijing 100039, People's Republic of China.
authors.forename: Yu-Jun
authors.initials: YJ
authors.lastname: Zheng
authors.affiliation: Laboratory of Applied Research on the Characteristic Resources in the North of Guizhou Province, School of Chemistry and Chemical Engineering, Zunyi Normal College, Zunyi, Guizhou 563002, China.
authors.forename: Hua-Jun
authors.initials: HJ
authors.lastname: Zhao
authors.affiliation: Physics Institute of the University of Zurich, Winterthurerstrasse 190, 8057 Zurich, Switzerland.
authors.forename: Shang-Xiong
authors.initials: SX
authors.lastname: Huang-Fu
authors.affiliation: Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, People's Republic of China. liming_wu@fjirsm.ac.cn and University of Chinese Academy of Sciences, Beijing 100039, People's Republic of China.
authors.forename: Muhammad Ali
authors.initials: MA
authors.lastname: Khan
authors.affiliation: Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, People's Republic of China. liming_wu@fjirsm.ac.cn.
authors.forename: Ling
authors.initials: L
authors.lastname: Chen
authors.affiliation: Key Laboratory of Optoelectronic Materials Chemistry and Physics, Fujian Institute of Research on the Structure of Matter, Chinese Academy of Sciences, Fuzhou, Fujian 350002, People's Republic of China. liming_wu@fjirsm.ac.cn.
authors.forename: Li-Ming
authors.initials: LM
authors.lastname: Wu