Materials Data on Ga2CuAgTe4 by Materials Project

AgCuGa2Te4 is Stannite-like structured and crystallizes in the tetragonal I-4 space group. The structure is three-dimensional. Ag1+ is bonded to four equivalent Te2- atoms to form AgTe4 tetrahedra that share corners with four equivalent CuTe4 tetrahedra and corners with eight GaTe4 tetrahedra. All Ag–Te bond lengths are 2.78 Å. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent AgTe4 tetrahedra and corners with eight GaTe4 tetrahedra. All Cu–Te bond lengths are 2.61 Å. There are two inequivalent Ga3+ sites. In the first Ga3+ site, Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent AgTe4 tetrahedra, corners with four equivalent CuTe4 tetrahedra, and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.67 Å. In the second Ga3+ site, Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent AgTe4 tetrahedra, corners with four equivalent CuTe4 tetrahedra, and corners with four equivalent GaTe4 tetrahedra. All Ga–Te bond lengths are 2.69 Å. Te2- is bonded to one Ag1+, one Cu1+, and two Ga3+ atoms to form corner-sharing TeGa2CuAg tetrahedra.