Materials Data on K3Zr by Materials Project

Abstract

K3Zr is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. K is bonded to eight equivalent K and four equivalent Zr atoms to form distorted KK8Zr4 cuboctahedra that share corners with twelve equivalent KK8Zr4 cuboctahedra, edges with eight equivalent ZrK12 cuboctahedra, edges with sixteen equivalent KK8Zr4 cuboctahedra, faces with four equivalent ZrK12 cuboctahedra, and faces with fourteen equivalent KK8Zr4 cuboctahedra. All K–K bond lengths are 4.20 Å. All K–Zr bond lengths are 4.20 Å. Zr is bonded to twelve equivalent K atoms to form ZrK12 cuboctahedra that share corners with twelve equivalent ZrK12 cuboctahedra, edges with twenty-four equivalent KK8Zr4 cuboctahedra, faces with six equivalent ZrK12 cuboctahedra, and faces with twelve equivalent KK8Zr4 cuboctahedra.