Materials Data on Mn3Ge by Materials Project

Abstract

Mn3Ge crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are two inequivalent Mn sites. In the first Mn site, Mn is bonded to nine Mn and three equivalent Ge atoms to form distorted MnMn9Ge3 cuboctahedra that share corners with six equivalent GeMn6 cuboctahedra, corners with twelve equivalent MnMn9Ge3 cuboctahedra, edges with six equivalent GeMn6 cuboctahedra, edges with eighteen MnMn9Ge3 cuboctahedra, and faces with twelve MnMn9Ge3 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.49–2.69 Å. There are two shorter (2.59 Å) and one longer (2.60 Å) Mn–Ge bond lengths. In the second Mn site, Mn is bonded to twelve Mn atoms to form MnMn12 cuboctahedra that share corners with six equivalent MnMn12 cuboctahedra, corners with six equivalent GeMn6 cuboctahedra, edges with six equivalent GeMn6 cuboctahedra, edges with eighteen MnMn9Ge3 cuboctahedra, and faces with eighteen MnMn9Ge3 cuboctahedra. There are four shorter (2.68 Å) and two longer (2.69 Å) Mn–Mn bond lengths. Ge is bonded to six equivalent Mn atoms to form distorted GeMn6 cuboctahedra that share corners with eighteen MnMn9Ge3 cuboctahedra, edges with six equivalent GeMn6 cuboctahedra, and edges with eighteen MnMn9Ge3 cuboctahedra.