Materials Data on LiIn2CuTe4 by Materials Project

Abstract

LiCuIn2Te4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Li1+ is bonded to four equivalent Te2- atoms to form LiTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra and corners with eight InTe4 tetrahedra. All Li–Te bond lengths are 2.74 Å. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent LiTe4 tetrahedra and corners with eight InTe4 tetrahedra. All Cu–Te bond lengths are 2.61 Å. There are two inequivalent In3+ sites. In the first In3+ site, In3+ is bonded to four equivalent Te2- atoms to form InTe4 tetrahedra that share corners with four equivalent LiTe4 tetrahedra, corners with four equivalent CuTe4 tetrahedra, and corners with four equivalent InTe4 tetrahedra. All In–Te bond lengths are 2.85 Å. In the second In3+ site, In3+ is bonded to four equivalent Te2- atoms to form InTe4 tetrahedra that share corners with four equivalent LiTe4 tetrahedra, corners with four equivalent CuTe4 tetrahedra, and corners with four equivalent InTe4 tetrahedra. All In–Te bond lengths are 2.85 Å. Te2- is bonded to one Li1+, one Cu1+, and two In3+ atoms to form corner-sharing TeLiIn2Cu tetrahedra.