Materials Data on CaTb3 by Materials Project

Abstract

CaTb3 is Uranium Silicide structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ca is bonded to twelve equivalent Tb atoms to form CaTb12 cuboctahedra that share corners with twelve equivalent CaTb12 cuboctahedra, edges with twenty-four equivalent TbCa4Tb8 cuboctahedra, faces with six equivalent CaTb12 cuboctahedra, and faces with twelve equivalent TbCa4Tb8 cuboctahedra. All Ca–Tb bond lengths are 3.61 Å. Tb is bonded to four equivalent Ca and eight equivalent Tb atoms to form TbCa4Tb8 cuboctahedra that share corners with twelve equivalent TbCa4Tb8 cuboctahedra, edges with eight equivalent CaTb12 cuboctahedra, edges with sixteen equivalent TbCa4Tb8 cuboctahedra, faces with four equivalent CaTb12 cuboctahedra, and faces with fourteen equivalent TbCa4Tb8 cuboctahedra. All Tb–Tb bond lengths are 3.61 Å.