Materials Data on MnCu2SnTe4 by Materials Project

Abstract

MnCu2SnTe4 is Stannite structured and crystallizes in the tetragonal I-42m space group. The structure is three-dimensional. Mn2+ is bonded to four equivalent Te2- atoms to form MnTe4 tetrahedra that share corners with four equivalent SnTe4 tetrahedra and corners with eight equivalent CuTe4 tetrahedra. All Mn–Te bond lengths are 2.71 Å. Cu1+ is bonded to four equivalent Te2- atoms to form CuTe4 tetrahedra that share corners with four equivalent MnTe4 tetrahedra, corners with four equivalent CuTe4 tetrahedra, and corners with four equivalent SnTe4 tetrahedra. All Cu–Te bond lengths are 2.60 Å. Sn4+ is bonded to four equivalent Te2- atoms to form SnTe4 tetrahedra that share corners with four equivalent MnTe4 tetrahedra and corners with eight equivalent CuTe4 tetrahedra. All Sn–Te bond lengths are 2.85 Å. Te2- is bonded to one Mn2+, two equivalent Cu1+, and one Sn4+ atom to form corner-sharing TeMnCu2Sn tetrahedra.