1. Ternary arsenides ATt3As3 (A=K, Rb; Tt=Ge, Sn) with layered structures
- Author
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Stanislav S. Stoyko, Arthur Mar, and Mansura Khatun
- Subjects
Valence (chemistry) ,010405 organic chemistry ,Space group ,Electronic structure ,Crystal structure ,010402 general chemistry ,Condensed Matter Physics ,01 natural sciences ,0104 chemical sciences ,Electronic, Optical and Magnetic Materials ,Arsenide ,Inorganic Chemistry ,Crystallography ,chemistry.chemical_compound ,chemistry ,Materials Chemistry ,Ceramics and Composites ,Orthorhombic crystal system ,Physical and Theoretical Chemistry ,Ternary operation ,Electronic band structure - Abstract
The four ternary arsenides ATt3As3 (A=K, Rb; Tt=Ge, Sn) were obtained by reaction of the elements at 600–650 °C. They adopt an orthorhombic structure (space group Pnma, Z=4, with cell parameters ranging from a=9.9931(11) A, b=3.7664(4) A, c=18.607(2) A for KGe3As3 to a=10.3211(11) A, b=4.0917(4) A, c=19.570(2) A for RbSn3As3) containing corrugated [Tt3As3] layers built from Tt-centred trigonal pyramids and tetrahedra forming five-membered rings decorated with As handles. They can be considered to be Zintl phases with Tt atoms in +4, +3, and +1 oxidation states. Band structure calculations predict that these compounds are semiconductors with narrow band gaps (0.71 eV in KGe3As3, 0.50 eV in KSn3As3).
- Published
- 2016
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