Materials Data on NaHo3 by Materials Project

Abstract

NaHo3 is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Na is bonded to twelve Ho atoms to form NaHo12 cuboctahedra that share corners with four equivalent NaHo12 cuboctahedra, edges with eight equivalent NaHo12 cuboctahedra, edges with sixteen equivalent HoNa4Ho8 cuboctahedra, faces with four equivalent NaHo12 cuboctahedra, and faces with eight equivalent HoNa4Ho8 cuboctahedra. There are four shorter (3.43 Å) and eight longer (3.60 Å) Na–Ho bond lengths. There are two inequivalent Ho sites. In the first Ho site, Ho is bonded to four equivalent Na and eight Ho atoms to form HoNa4Ho8 cuboctahedra that share corners with twelve equivalent HoNa4Ho8 cuboctahedra, edges with eight equivalent NaHo12 cuboctahedra, edges with eight equivalent HoNa4Ho8 cuboctahedra, faces with four equivalent NaHo12 cuboctahedra, and faces with ten equivalent HoNa4Ho8 cuboctahedra. There are four shorter (3.43 Å) and four longer (3.60 Å) Ho–Ho bond lengths. In the second Ho site, Ho is bonded in a distorted square co-planar geometry to four equivalent Na and eight equivalent Ho atoms.