Materials Data on EuSi2PdAu by Materials Project

Abstract

EuPdAuSi2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. Eu3+ is bonded to eight equivalent Si4- atoms to form EuSi8 hexagonal bipyramids that share corners with eight equivalent PdSi4 tetrahedra, corners with eight equivalent AuSi4 tetrahedra, edges with four equivalent EuSi8 hexagonal bipyramids, edges with four equivalent PdSi4 tetrahedra, edges with four equivalent AuSi4 tetrahedra, and faces with four equivalent EuSi8 hexagonal bipyramids. All Eu–Si bond lengths are 3.30 Å. Pd2+ is bonded to four equivalent Si4- atoms to form PdSi4 tetrahedra that share corners with eight equivalent EuSi8 hexagonal bipyramids, corners with four equivalent PdSi4 tetrahedra, edges with four equivalent EuSi8 hexagonal bipyramids, and edges with four equivalent AuSi4 tetrahedra. All Pd–Si bond lengths are 2.55 Å. Au3+ is bonded to four equivalent Si4- atoms to form AuSi4 tetrahedra that share corners with eight equivalent EuSi8 hexagonal bipyramids, corners with four equivalent AuSi4 tetrahedra, edges with four equivalent EuSi8 hexagonal bipyramids, and edges with four equivalent PdSi4 tetrahedra. All Au–Si bond lengths are 2.55 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Eu3+, two equivalent Pd2+, two equivalent Au3+, and one Si4- atom. The Si–Si bond length is 2.38 Å.