Materials Data on Np(SiRu)2 by Materials Project

Abstract

NpRu2Si2 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Np3+ is bonded to eight equivalent Si4- atoms to form NpSi8 hexagonal bipyramids that share corners with sixteen equivalent RuSi4 tetrahedra, edges with four equivalent NpSi8 hexagonal bipyramids, edges with eight equivalent RuSi4 tetrahedra, and faces with four equivalent NpSi8 hexagonal bipyramids. All Np–Si bond lengths are 3.15 Å. Ru+2.50+ is bonded to four equivalent Si4- atoms to form RuSi4 tetrahedra that share corners with eight equivalent NpSi8 hexagonal bipyramids, corners with four equivalent RuSi4 tetrahedra, edges with four equivalent NpSi8 hexagonal bipyramids, and edges with four equivalent RuSi4 tetrahedra. All Ru–Si bond lengths are 2.38 Å. Si4- is bonded in a 9-coordinate geometry to four equivalent Np3+, four equivalent Ru+2.50+, and one Si4- atom. The Si–Si bond length is 2.38 Å.