Materials Data on Ca3Y by Materials Project

Abstract

Ca3Y 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 Y atoms to form CaCa8Y4 cuboctahedra that share corners with twelve equivalent CaCa8Y4 cuboctahedra, edges with eight equivalent YCa12 cuboctahedra, edges with sixteen equivalent CaCa8Y4 cuboctahedra, faces with four equivalent YCa12 cuboctahedra, and faces with fourteen equivalent CaCa8Y4 cuboctahedra. All Ca–Ca bond lengths are 3.83 Å. All Ca–Y bond lengths are 3.83 Å. Y is bonded to twelve equivalent Ca atoms to form YCa12 cuboctahedra that share corners with twelve equivalent YCa12 cuboctahedra, edges with twenty-four equivalent CaCa8Y4 cuboctahedra, faces with six equivalent YCa12 cuboctahedra, and faces with twelve equivalent CaCa8Y4 cuboctahedra.