Materials Data on NbCoSi by Materials Project

Abstract

NbCoSi crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Nb2+ is bonded to five equivalent Si4- atoms to form distorted NbSi5 trigonal bipyramids that share corners with eight equivalent CoSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with six equivalent CoSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are three shorter (2.64 Å) and two longer (2.66 Å) Nb–Si bond lengths. Co2+ is bonded to four equivalent Si4- atoms to form CoSi4 tetrahedra that share corners with eight equivalent CoSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with two equivalent CoSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are a spread of Co–Si bond distances ranging from 2.30–2.41 Å. Si4- is bonded in a 9-coordinate geometry to five equivalent Nb2+ and four equivalent Co2+ atoms.