Synthesis and Crystal structure of BaIn2Te4

Nishad, Abhishek Kumar and Jai, Prakash (2019) Synthesis and Crystal structure of BaIn2Te4. Masters thesis, Indian institute of technology Hyderabad.

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Abstract

By using solid-state sealed tube method, the single crystals of alkaline earth metal based chalcogenide, BaIn2Te4 were grown at 1173 K. The polycrystalline BaIn2Te4 was also successfully synthesized in bulk at 1123 K by a two- step sealed tube method. The single phase nature of BaIn2Te4 was confirmed by powder X-ray diffraction pattern. From the single crystal X-ray diffraction studies, we have found that the BaIn2Te4 crystallizes in a D_2h^20Cccm space group in the orthorhombic crystal system with cell dimensions of a = 7.1417(14) Å, b =12.034(2) Å, and c =12.107(2) Å with Z = 4. The crystal structure of BaIn2Te4 is related to the tetragonal binary TlSe structure (space group: I4/mcm). The main structural features of this structure are one dimensional chains of 1¦∞[In2Te42] that are made up of edge sharing InTe4 tetrahedra, and Ba2+ cations that act as a space filler. The 1¦∞[In2Te42] chains are separated by barium atoms that are eight–coordinated with tellurium atoms forming a distorted square antiprism like geometry. This ternary compound does not feature any homoatomic bonding, and so formal oxidation states of atoms can be simply assigned as Ba2+, In3+, and Te2. This indicates that BaIn2Te4 has a closed-shell electronic configuration and belongs to the Zintl family of compounds.

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