Materials Data on Mn3Sb by Materials Project

Abstract

Mn3Sb is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Mn is bonded to eight equivalent Mn and four equivalent Sb atoms to form distorted MnMn8Sb4 cuboctahedra that share corners with four equivalent SbMn12 cuboctahedra, corners with fourteen equivalent MnMn8Sb4 cuboctahedra, edges with six equivalent SbMn12 cuboctahedra, edges with twelve equivalent MnMn8Sb4 cuboctahedra, faces with four equivalent SbMn12 cuboctahedra, and faces with sixteen equivalent MnMn8Sb4 cuboctahedra. There are a spread of Mn–Mn bond distances ranging from 2.48–2.93 Å. There are two shorter (2.71 Å) and two longer (2.75 Å) Mn–Sb bond lengths. Sb is bonded to twelve equivalent Mn atoms to form SbMn12 cuboctahedra that share corners with six equivalent SbMn12 cuboctahedra, corners with twelve equivalent MnMn8Sb4 cuboctahedra, edges with eighteen equivalent MnMn8Sb4 cuboctahedra, faces with eight equivalent SbMn12 cuboctahedra, and faces with twelve equivalent MnMn8Sb4 cuboctahedra.