Materials Data on Mn3GeIr by Materials Project

Abstract

Mn3IrGe crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Mn is bonded in a 12-coordinate geometry to six equivalent Mn, three equivalent Ir, and three equivalent Ge atoms. There are a spread of Mn–Mn bond distances ranging from 2.76–2.79 Å. There are a spread of Mn–Ir bond distances ranging from 2.68–2.82 Å. There are a spread of Mn–Ge bond distances ranging from 2.64–2.84 Å. Ir is bonded to nine equivalent Mn and three equivalent Ge atoms to form IrMn9Ge3 cuboctahedra that share corners with six equivalent IrMn9Ge3 cuboctahedra, corners with nine equivalent GeMn9Ir3 cuboctahedra, faces with four equivalent GeMn9Ir3 cuboctahedra, and faces with six equivalent IrMn9Ge3 cuboctahedra. All Ir–Ge bond lengths are 2.48 Å. Ge is bonded to nine equivalent Mn and three equivalent Ir atoms to form GeMn9Ir3 cuboctahedra that share corners with six equivalent GeMn9Ir3 cuboctahedra, corners with nine equivalent IrMn9Ge3 cuboctahedra, faces with four equivalent IrMn9Ge3 cuboctahedra, and faces with six equivalent GeMn9Ir3 cuboctahedra.