Materials Data on ZnTcMo by Materials Project

Abstract

MoTcZn is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Mo is bonded in a body-centered cubic geometry to four equivalent Tc and four equivalent Zn atoms. All Mo–Tc bond lengths are 2.59 Å. All Mo–Zn bond lengths are 2.59 Å. Tc is bonded to four equivalent Mo and six equivalent Zn atoms to form distorted TcZn6Mo4 tetrahedra that share corners with four equivalent ZnTc6Mo4 tetrahedra, corners with six equivalent TcZn6Mo4 tetrahedra, edges with six equivalent ZnTc6Mo4 tetrahedra, and faces with twelve equivalent TcZn6Mo4 tetrahedra. All Tc–Zn bond lengths are 2.99 Å. Zn is bonded to four equivalent Mo and six equivalent Tc atoms to form distorted ZnTc6Mo4 tetrahedra that share corners with four equivalent TcZn6Mo4 tetrahedra, corners with six equivalent ZnTc6Mo4 tetrahedra, edges with six equivalent TcZn6Mo4 tetrahedra, and faces with twelve equivalent ZnTc6Mo4 tetrahedra.