Materials Data on MnSiNi by Materials Project

Abstract

MnNiSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Mn2+ is bonded to five equivalent Si4- atoms to form distorted MnSi5 trigonal bipyramids that share corners with eight equivalent NiSi4 tetrahedra, corners with eight equivalent MnSi5 trigonal bipyramids, edges with six equivalent NiSi4 tetrahedra, and edges with six equivalent MnSi5 trigonal bipyramids. There are three shorter (2.47 Å) and two longer (2.56 Å) Mn–Si bond lengths. Ni2+ is bonded to four equivalent Si4- atoms to form NiSi4 tetrahedra that share corners with eight equivalent NiSi4 tetrahedra, corners with eight equivalent MnSi5 trigonal bipyramids, edges with two equivalent NiSi4 tetrahedra, and edges with six equivalent MnSi5 trigonal bipyramids. There are a spread of Ni–Si bond distances ranging from 2.25–2.30 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Mn2+ and four equivalent Ni2+ atoms.