Materials Data on GaFe2AgTe4 by Materials Project

Abstract

AgFe2GaTe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Fe2+ is bonded to four equivalent Te2- atoms to form FeTe4 tetrahedra that share corners with four equivalent FeTe4 tetrahedra, corners with four equivalent AgTe4 tetrahedra, and corners with four equivalent GaTe4 tetrahedra. All Fe–Te bond lengths are 2.61 Å. Ag1+ is bonded to four equivalent Te2- atoms to form AgTe4 tetrahedra that share corners with four equivalent GaTe4 tetrahedra and corners with eight equivalent FeTe4 tetrahedra. All Ag–Te bond lengths are 2.79 Å. Ga3+ is bonded to four equivalent Te2- atoms to form GaTe4 tetrahedra that share corners with four equivalent AgTe4 tetrahedra and corners with eight equivalent FeTe4 tetrahedra. All Ga–Te bond lengths are 2.70 Å. Te2- is bonded to two equivalent Fe2+, one Ag1+, and one Ga3+ atom to form corner-sharing TeGaFe2Ag tetrahedra.