Materials Data on NbSiPd by Materials Project
NbPdSi 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 PdSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with six equivalent PdSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are a spread of Nb–Si bond distances ranging from 2.70–2.78 Å. Pd2+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent PdSi4 tetrahedra, corners with eight equivalent NbSi5 trigonal bipyramids, edges with two equivalent PdSi4 tetrahedra, and edges with six equivalent NbSi5 trigonal bipyramids. There are three shorter (2.44 Å) and one longer (2.52 Å) Pd–Si bond lengths. Si4- is bonded in a 9-coordinate geometry to five equivalent Nb2+ and four equivalent Pd2+ atoms.