Materials Data on CeZn2Ni by Materials Project

Abstract

CeNiZn2 is Uranium Silicide-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Ce is bonded to four equivalent Ni and eight equivalent Zn atoms to form distorted CeZn8Ni4 cuboctahedra that share corners with twelve equivalent CeZn8Ni4 cuboctahedra, edges with sixteen equivalent ZnCe4Zn4Ni4 cuboctahedra, faces with six equivalent CeZn8Ni4 cuboctahedra, and faces with eight equivalent ZnCe4Zn4Ni4 cuboctahedra. All Ce–Ni bond lengths are 2.73 Å. All Ce–Zn bond lengths are 3.13 Å. Ni is bonded in a square co-planar geometry to four equivalent Ce and eight equivalent Zn atoms. All Ni–Zn bond lengths are 3.13 Å. Zn is bonded to four equivalent Ce, four equivalent Ni, and four equivalent Zn atoms to form ZnCe4Zn4Ni4 cuboctahedra that share corners with twelve equivalent ZnCe4Zn4Ni4 cuboctahedra, edges with eight equivalent CeZn8Ni4 cuboctahedra, edges with eight equivalent ZnCe4Zn4Ni4 cuboctahedra, faces with four equivalent CeZn8Ni4 cuboctahedra, and faces with ten equivalent ZnCe4Zn4Ni4 cuboctahedra. All Zn–Zn bond lengths are 2.73 Å.