Materials Data on TbY3 by Materials Project
TbY3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Tb is bonded to twelve Y atoms to form TbY12 cuboctahedra that share corners with four equivalent TbY12 cuboctahedra, corners with eight equivalent YTb4Y8 cuboctahedra, edges with eight equivalent TbY12 cuboctahedra, edges with sixteen equivalent YTb4Y8 cuboctahedra, faces with four equivalent TbY12 cuboctahedra, and faces with fourteen YTb4Y8 cuboctahedra. All Tb–Y bond lengths are 3.58 Å. There are two inequivalent Y sites. In the first Y site, Y is bonded to four equivalent Tb and eight Y atoms to form YTb4Y8 cuboctahedra that share corners with twelve equivalent YTb4Y8 cuboctahedra, edges with eight equivalent TbY12 cuboctahedra, edges with sixteen YTb4Y8 cuboctahedra, faces with four equivalent TbY12 cuboctahedra, and faces with fourteen YTb4Y8 cuboctahedra. All Y–Y bond lengths are 3.58 Å. In the second Y site, Y is bonded to four equivalent Tb and eight equivalent Y atoms to form YTb4Y8 cuboctahedra that share corners with four equivalent YTb4Y8 cuboctahedra, corners with eight equivalent TbY12 cuboctahedra, edges with twenty-four YTb4Y8 cuboctahedra, faces with six equivalent TbY12 cuboctahedra, and faces with twelve YTb4Y8 cuboctahedra.