Materials Data on SrTb3 by Materials Project

Abstract

SrTb3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sr is bonded to twelve Tb atoms to form SrTb12 cuboctahedra that share corners with four equivalent SrTb12 cuboctahedra, corners with eight equivalent TbSr4Tb8 cuboctahedra, edges with eight equivalent SrTb12 cuboctahedra, edges with sixteen equivalent TbSr4Tb8 cuboctahedra, faces with four equivalent SrTb12 cuboctahedra, and faces with fourteen TbSr4Tb8 cuboctahedra. There are four shorter (3.68 Å) and eight longer (3.69 Å) Sr–Tb bond lengths. There are two inequivalent Tb sites. In the first Tb site, Tb is bonded to four equivalent Sr and eight Tb atoms to form TbSr4Tb8 cuboctahedra that share corners with twelve equivalent TbSr4Tb8 cuboctahedra, edges with eight equivalent SrTb12 cuboctahedra, edges with sixteen TbSr4Tb8 cuboctahedra, faces with four equivalent SrTb12 cuboctahedra, and faces with fourteen TbSr4Tb8 cuboctahedra. There are four shorter (3.68 Å) and four longer (3.69 Å) Tb–Tb bond lengths. In the second Tb site, Tb is bonded to four equivalent Sr and eight equivalent Tb atoms to form TbSr4Tb8 cuboctahedra that share corners with four equivalent TbSr4Tb8 cuboctahedra, corners with eight equivalent SrTb12 cuboctahedra, edges with twenty-four TbSr4Tb8 cuboctahedra, faces with six equivalent SrTb12 cuboctahedra, and faces with twelve TbSr4Tb8 cuboctahedra.