Materials Data on Nd(SiPd)2 by Materials Project

Abstract

Nd(PdSi)2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Nd2+ is bonded to eight equivalent Si4- atoms to form NdSi8 hexagonal bipyramids that share corners with sixteen equivalent PdSi4 tetrahedra, edges with four equivalent NdSi8 hexagonal bipyramids, edges with eight equivalent PdSi4 tetrahedra, and faces with four equivalent NdSi8 hexagonal bipyramids. All Nd–Si bond lengths are 3.23 Å. Pd3+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent NdSi8 hexagonal bipyramids, corners with four equivalent PdSi4 tetrahedra, edges with four equivalent NdSi8 hexagonal bipyramids, and edges with four equivalent PdSi4 tetrahedra. All Pd–Si bond lengths are 2.49 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Nd2+, four equivalent Pd3+, and one Si4- atom. The Si–Si bond length is 2.38 Å.