Synthesis, structural characterization and optical properties of new compounds: Centrosymmetric Ba{sub 2}GaMQ{sub 5} (M=Sb,Bi; Q=Se,Te), Ba{sub 2}InSbTe{sub 5} and noncentrosymmetric Ba{sub 2}InSbSe{sub 5}

Journal Article · Fri Feb 15 04:00:00 EST 2013 · Journal of Solid State Chemistry

DOI:https://doi.org/10.1016/J.JSSC.2012.09.034· OSTI ID:22150001

Hao, Wenyu; Mei, Dajiang; Yin, Wenlong; Feng, Kai ^[1]; Yao, Jiyong ^[1]; Wu, Yicheng ^[1]

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1. Center for Crystal Research and Development, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190 (China)

The six compounds Ba{sub 2}GaMQ{sub 5} (M=Sb,Bi; Q=Se,Te) and Ba{sub 2}InSbQ{sub 5} (Q=Se,Te) have been synthesized for the first time. Ba{sub 2}GaMQ{sub 5} (M=Sb,Bi; Q=Se,Te) and Ba{sub 2}InSbTe{sub 5} crystallize in the centrosymmetric space group Pnma, while Ba{sub 2}InSbSe{sub 5} belongs to the noncentrosymmetric polar space group Cmc2{sub 1}. The structures of the six new compounds contain infinite {sup 1}{sub {infinity}}[MM'Q{sub 5}]{sub 4-} anionic chains built by MQ{sub 4} (M Prime =Ga,In) tetrahedra and heavily distorted M Prime Q{sub 6} (M Prime =Sb,Bi) octahedra. Ba{sub 2}InSbSe{sub 5} possesses a band gap of 1.92(5) eV and exhibits a weak powder second harmonic generation signal using the 2090 nm laser as fundamental wavelength. - Graphical abstract: Ba{sub 2}InSbSe{sub 5} contains infinite {sup 1}{sub {infinity}}[InSbSe{sub 5}]{sub 4-} chains which are built by corner-shared InSe{sub 4} tetrahedra chains and edge-shared SbSe{sub 6} octahedra chains connected through edge sharing . Highlights: Black-Right-Pointing-Pointer Ba{sub 2}GaMQ{sub 5} (M=Sb,Bi; Q=Se,Te) and Ba{sub 2}InSbQ{sub 5} (Q=Se,Te) have been synthesized. Black-Right-Pointing-Pointer The structures contain infinite {sup 1}{sub {infinity}}[MM'Q{sub 5}]{sub 4-} (M Prime =Ga,In) anionic chains. Black-Right-Pointing-Pointer The chains are built by distorted MQ{sub 6} (M=Sb,Bi) octahedra and M Prime Q{sub 4} (M Prime =Ga,In) tetrahedra. Black-Right-Pointing-Pointer Ba{sub 2}InSbSe{sub 5} exhibits a weak powder second harmonic generation signal.

• OSTI ID: 22150001
• Journal Information: Journal of Solid State Chemistry, Journal Name: Journal of Solid State Chemistry Vol. 198; ISSN 0022-4596; ISSN JSSCBI
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY
CHAINS
HARMONIC GENERATION
OPTICAL PROPERTIES
ORTHORHOMBIC LATTICES
POWDERS
SELENIDES
SPACE GROUPS
SYNTHESIS
TELLURIDES