Materials Data on USi2RuRh by Materials Project

Abstract

URuRhSi2 crystallizes in the tetragonal I-4m2 space group. The structure is three-dimensional. U3+ is bonded to eight equivalent Si4- atoms to form USi8 hexagonal bipyramids that share corners with eight equivalent RuSi4 tetrahedra, corners with eight equivalent RhSi4 tetrahedra, edges with four equivalent USi8 hexagonal bipyramids, edges with four equivalent RuSi4 tetrahedra, edges with four equivalent RhSi4 tetrahedra, and faces with four equivalent USi8 hexagonal bipyramids. All U–Si bond lengths are 3.14 Å. Ru2+ is bonded to four equivalent Si4- atoms to form RuSi4 tetrahedra that share corners with eight equivalent USi8 hexagonal bipyramids, corners with four equivalent RuSi4 tetrahedra, edges with four equivalent USi8 hexagonal bipyramids, and edges with four equivalent RhSi4 tetrahedra. All Ru–Si bond lengths are 2.41 Å. Rh3+ is bonded to four equivalent Si4- atoms to form RhSi4 tetrahedra that share corners with eight equivalent USi8 hexagonal bipyramids, corners with four equivalent RhSi4 tetrahedra, edges with four equivalent USi8 hexagonal bipyramids, and edges with four equivalent RuSi4 tetrahedra. All Rh–Si bond lengths are 2.41 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent U3+, two equivalent Ru2+, two equivalent Rh3+, and one Si4- atom. The Si–Si bond length is 2.40 Å.