Materials Data on MnTcPd by Materials Project

Abstract

TcMnPd is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tc is bonded to four equivalent Mn and six equivalent Pd atoms to form distorted TcMn4Pd6 tetrahedra that share corners with four equivalent PdMn4Tc6 tetrahedra, corners with six equivalent TcMn4Pd6 tetrahedra, edges with six equivalent PdMn4Tc6 tetrahedra, and faces with twelve equivalent TcMn4Pd6 tetrahedra. All Tc–Mn bond lengths are 2.51 Å. All Tc–Pd bond lengths are 2.89 Å. Mn is bonded in a body-centered cubic geometry to four equivalent Tc and four equivalent Pd atoms. All Mn–Pd bond lengths are 2.51 Å. Pd is bonded to six equivalent Tc and four equivalent Mn atoms to form distorted PdMn4Tc6 tetrahedra that share corners with four equivalent TcMn4Pd6 tetrahedra, corners with six equivalent PdMn4Tc6 tetrahedra, edges with six equivalent TcMn4Pd6 tetrahedra, and faces with twelve equivalent PdMn4Tc6 tetrahedra.