Materials Data on Mn3SiNi2 by Materials Project

Abstract

Mn3Ni2Si crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Mn is bonded in a 2-coordinate geometry to eight equivalent Mn, four equivalent Ni, and two equivalent Si atoms. There are four shorter (2.82 Å) and four longer (2.87 Å) Mn–Mn bond lengths. There are two shorter (2.49 Å) and two longer (2.72 Å) Mn–Ni bond lengths. Both Mn–Si bond lengths are 2.73 Å. Ni is bonded in a 12-coordinate geometry to six equivalent Mn, three equivalent Ni, and three equivalent Si atoms. All Ni–Ni bond lengths are 2.61 Å. All Ni–Si bond lengths are 2.33 Å. Si is bonded to six equivalent Mn and six equivalent Ni atoms to form face-sharing SiMn6Ni6 cuboctahedra.