Materials Data on AcTb3 by Materials Project

Abstract

AcTb3 is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Ac is bonded to twelve Tb atoms to form AcTb12 cuboctahedra that share corners with four equivalent AcTb12 cuboctahedra, corners with eight equivalent TbAc4Tb8 cuboctahedra, edges with eight equivalent AcTb12 cuboctahedra, edges with sixteen equivalent TbAc4Tb8 cuboctahedra, faces with four equivalent AcTb12 cuboctahedra, and faces with fourteen TbAc4Tb8 cuboctahedra. There are eight shorter (3.67 Å) and four longer (3.68 Å) Ac–Tb bond lengths. There are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Ac and eight Tb atoms to form TbAc4Tb8 cuboctahedra that share corners with twelve equivalent TbAc4Tb8 cuboctahedra, edges with eight equivalent AcTb12 cuboctahedra, edges with sixteen TbAc4Tb8 cuboctahedra, faces with four equivalent AcTb12 cuboctahedra, and faces with fourteen TbAc4Tb8 cuboctahedra. There are four shorter (3.67 Å) and four longer (3.68 Å) Tb–Tb bond lengths. In the second Tb site, Tb is bonded to four equivalent Ac and eight equivalent Tb atoms to form TbAc4Tb8 cuboctahedra that share corners with four equivalent TbAc4Tb8 cuboctahedra, corners with eight equivalent AcTb12 cuboctahedra, edges with twenty-four TbAc4Tb8 cuboctahedra, faces with six equivalent AcTb12 cuboctahedra, and faces with twelve TbAc4Tb8 cuboctahedra.