YbY3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Yb(1) is bonded to four equivalent Y(2) and eight equivalent Y(1) atoms to form YbY12 cuboctahedra that share corners with four equivalent Yb(1)Y12 cuboctahedra, corners with eight equivalent Y(2)Yb4Y8 cuboctahedra, edges with eight equivalent Yb(1)Y12 cuboctahedra, edges with sixteen equivalent Y(1)Yb4Y8 cuboctahedra, faces with four equivalent Yb(1)Y12 cuboctahedra, faces with six equivalent Y(2)Yb4Y8 cuboctahedra, and faces with eight equivalent Y(1)Yb4Y8 cuboctahedra. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent Yb(1), four equivalent Y(1), and four equivalent Y(2) atoms to form YYb4Y8 cuboctahedra that share corners with twelve equivalent Y(1)Yb4Y8 cuboctahedra, edges with eight equivalent Yb(1)Y12 cuboctahedra, edges with eight equivalent Y(1)Yb4Y8 cuboctahedra, edges with eight equivalent Y(2)Yb4Y8 cuboctahedra, faces with four equivalent Yb(1)Y12 cuboctahedra, faces with four equivalent Y(2)Yb4Y8 cuboctahedra, and faces with ten equivalent Y(1)Yb4Y8 cuboctahedra. In the second Y site, Y(2) is bonded to four equivalent Yb(1) and eight equivalent Y(1) atoms to form YYb4Y8 cuboctahedra that share corners with four equivalent Y(2)Yb4Y8 cuboctahedra, corners with eight equivalent Yb(1)Y12 cuboctahedra, edges with eight equivalent Y(2)Yb4Y8 cuboctahedra, edges with sixteen equivalent Y(1)Yb4Y8 cuboctahedra, faces with four equivalent Y(2)Yb4Y8 cuboctahedra, faces with six equivalent Yb(1)Y12 cuboctahedra, and faces with eight equivalent Y(1)Yb4Y8 cuboctahedra.
YbY3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. Yb(1) is bonded to four equivalent Y(2) and eight equivalent Y(1) atoms to form YbY12 cuboctahedra that share corners with four equivalent Yb(1)Y12 cuboctahedra, corners with eight equivalent Y(2)Yb4Y8 cuboctahedra, edges with eight equivalent Yb(1)Y12 cuboctahedra, edges with sixteen equivalent Y(1)Yb4Y8 cuboctahedra, faces with four equivalent Yb(1)Y12 cuboctahedra, faces with six equivalent Y(2)Yb4Y8 cuboctahedra, and faces with eight equivalent Y(1)Yb4Y8 cuboctahedra. All Yb(1)-Y(2) bond lengths are 3.59 Å. All Yb(1)-Y(1) bond lengths are 3.62 Å. There are two inequivalent Y sites. In the first Y site, Y(1) is bonded to four equivalent Yb(1), four equivalent Y(1), and four equivalent Y(2) atoms to form YYb4Y8 cuboctahedra that share corners with twelve equivalent Y(1)Yb4Y8 cuboctahedra, edges with eight equivalent Yb(1)Y12 cuboctahedra, edges with eight equivalent Y(1)Yb4Y8 cuboctahedra, edges with eight equivalent Y(2)Yb4Y8 cuboctahedra, faces with four equivalent Yb(1)Y12 cuboctahedra, faces with four equivalent Y(2)Yb4Y8 cuboctahedra, and faces with ten equivalent Y(1)Yb4Y8 cuboctahedra. All Y(1)-Y(1) bond lengths are 3.59 Å. All Y(1)-Y(2) bond lengths are 3.62 Å. In the second Y site, Y(2) is bonded to four equivalent Yb(1) and eight equivalent Y(1) atoms to form YYb4Y8 cuboctahedra that share corners with four equivalent Y(2)Yb4Y8 cuboctahedra, corners with eight equivalent Yb(1)Y12 cuboctahedra, edges with eight equivalent Y(2)Yb4Y8 cuboctahedra, edges with sixteen equivalent Y(1)Yb4Y8 cuboctahedra, faces with four equivalent Y(2)Yb4Y8 cuboctahedra, faces with six equivalent Yb(1)Y12 cuboctahedra, and faces with eight equivalent Y(1)Yb4Y8 cuboctahedra.