Li3TrAs2 (Tr = Al, Ga, In) - Derivatives of the antifluorite type structure, conductivities and electronic structures

Wegner, Florian and Kamm, Franziska and Pielnhofer, Florian and Pfitzner, Arno (2023) Li3TrAs2 (Tr = Al, Ga, In) - Derivatives of the antifluorite type structure, conductivities and electronic structures. ZEITSCHRIFT FUR ANORGANISCHE UND ALLGEMEINE CHEMIE, 649 (3): e202200330. ISSN 0044-2313, 1521-3749

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Abstract

Li3AlAs2, Li3GaAs2 and Li3InAs2 were obtained from the elements via high temperature synthesis. Li3AlAs2 and Li3GaAs2 crystallize in a distorted 2.2.1 superstructure of the antifluorite structure type. The orthorhombic crystal structure is isotypic to Li(3)AIP(2) and Li3GaP2, space group Cmce (No. 64) showing layers of condensed TrAs4-tetrahedra (Tr- Al, Ga). Li3InAs2 crystallizes isotypic to Li3InP2 in a distorted 2.2.4 antifluorite type super- structure. The crystal structure is tetragonal, space group I4(1)/ acd (No. 142), showing a 3D-network of In4As10-supertetrahedra. Structural characterization by powder X-ray diffraction, thermal analysis, conductivity measurements and band structure calculations show ion conductivity for Li(3)InAs(2 )and electronic charge transport for Li3AlAs2 and Li3GaAs2.

Item Type: Article
Uncontrolled Keywords: CRYSTAL-STRUCTURE; arsenidotrielates; band gap calculation; impedance spectroscopy; DFT modelling; semiconductor
Subjects: 500 Science > 540 Chemistry & allied sciences
Divisions: Chemistry and Pharmacy > Institut für Anorganische Chemie > Chair Prof. Dr. Arno Pfitzner
Depositing User: Dr. Gernot Deinzer
Date Deposited: 20 Feb 2024 10:41
Last Modified: 20 Feb 2024 10:41
URI: https://pred.uni-regensburg.de/id/eprint/56884

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