Materials Data on Ta2InCuTe4 by Materials Project

Abstract

CuTa2InTe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Ta3+ is bonded to four equivalent Te2- atoms to form TaTe4 tetrahedra that share corners with four equivalent TaTe4 tetrahedra, corners with four equivalent CuTe4 tetrahedra, and corners with four equivalent InTe4 tetrahedra. All Ta–Te bond lengths are 2.73 Å. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent InTe4 tetrahedra and corners with eight equivalent TaTe4 tetrahedra. All Cu–Te bond lengths are 2.63 Å. In1+ is bonded to four equivalent Te2- atoms to form InTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra and corners with eight equivalent TaTe4 tetrahedra. All In–Te bond lengths are 3.16 Å. Te2- is bonded to two equivalent Ta3+, one Cu1+, and one In1+ atom to form distorted corner-sharing TeTa2InCu tetrahedra.