Materials Data on Cu2SnTe3 by Materials Project

Abstract

Cu2SnTe3 is Enargite-like structured and crystallizes in the orthorhombic Imm2 space group. The structure is three-dimensional. Cu1+ is bonded to four Te2- atoms to form CuTe4 tetrahedra that share corners with five equivalent SnTe4 tetrahedra and corners with seven equivalent CuTe4 tetrahedra. There are two shorter (2.59 Å) and two longer (2.60 Å) Cu–Te bond lengths. Sn4+ is bonded to four Te2- atoms to form SnTe4 tetrahedra that share corners with two equivalent SnTe4 tetrahedra and corners with ten equivalent CuTe4 tetrahedra. There are two shorter (2.82 Å) and two longer (2.89 Å) Sn–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Cu1+ and two equivalent Sn4+ atoms to form corner-sharing TeCu2Sn2 tetrahedra. In the second Te2- site, Te2- is bonded to three equivalent Cu1+ and one Sn4+ atom to form corner-sharing TeCu3Sn tetrahedra.