Materials Data on Ca3Zn by Materials Project

Abstract

Ca3Zn is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to eight equivalent Ca and four equivalent Zn atoms to form distorted CaCa8Zn4 cuboctahedra that share corners with twelve equivalent CaCa8Zn4 cuboctahedra, edges with eight equivalent ZnCa12 cuboctahedra, edges with sixteen equivalent CaCa8Zn4 cuboctahedra, faces with four equivalent ZnCa12 cuboctahedra, and faces with fourteen equivalent CaCa8Zn4 cuboctahedra. All Ca–Ca bond lengths are 3.59 Å. All Ca–Zn bond lengths are 3.59 Å. Zn is bonded to twelve equivalent Ca atoms to form ZnCa12 cuboctahedra that share corners with twelve equivalent ZnCa12 cuboctahedra, edges with twenty-four equivalent CaCa8Zn4 cuboctahedra, faces with six equivalent ZnCa12 cuboctahedra, and faces with twelve equivalent CaCa8Zn4 cuboctahedra.