Materials Data on TcIrOs by Materials Project

Abstract

TcOsIr is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Tc3- is bonded in a body-centered cubic geometry to four equivalent Os1- and four equivalent Ir4+ atoms. All Tc–Os bond lengths are 2.56 Å. All Tc–Ir bond lengths are 2.56 Å. Os1- is bonded to four equivalent Tc3- atoms to form OsTc4 tetrahedra that share corners with four equivalent IrTc4 tetrahedra, corners with twelve equivalent OsTc4 tetrahedra, and edges with six equivalent IrTc4 tetrahedra. Ir4+ is bonded to four equivalent Tc3- atoms to form IrTc4 tetrahedra that share corners with four equivalent OsTc4 tetrahedra, corners with twelve equivalent IrTc4 tetrahedra, and edges with six equivalent OsTc4 tetrahedra.