Materials Data on K3Dy by Materials Project

Abstract

K3Dy is Uranium Silicide-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent K sites. In the first K site, K is bonded to eight K and four equivalent Dy atoms to form distorted KK8Dy4 cuboctahedra that share corners with twelve equivalent KK8Dy4 cuboctahedra, edges with eight equivalent KK8Dy4 cuboctahedra, edges with eight equivalent DyK12 cuboctahedra, faces with four equivalent DyK12 cuboctahedra, and faces with ten equivalent KK8Dy4 cuboctahedra. There are four shorter (4.12 Å) and four longer (4.42 Å) K–K bond lengths. All K–Dy bond lengths are 4.42 Å. In the second K site, K is bonded in a distorted square co-planar geometry to eight equivalent K and four equivalent Dy atoms. All K–Dy bond lengths are 4.12 Å. Dy is bonded to twelve K atoms to form DyK12 cuboctahedra that share corners with four equivalent DyK12 cuboctahedra, edges with eight equivalent DyK12 cuboctahedra, edges with sixteen equivalent KK8Dy4 cuboctahedra, faces with four equivalent DyK12 cuboctahedra, and faces with eight equivalent KK8Dy4 cuboctahedra.