Yb3V is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to four equivalent Yb(1), four equivalent Yb(2), and four equivalent V(1) atoms to form distorted YbYb8V4 cuboctahedra that share corners with twelve equivalent Yb(1)Yb8V4 cuboctahedra, edges with eight equivalent Yb(1)Yb8V4 cuboctahedra, edges with eight equivalent Yb(2)Yb8V4 cuboctahedra, edges with eight equivalent V(1)Yb12 cuboctahedra, faces with four equivalent Yb(2)Yb8V4 cuboctahedra, faces with four equivalent V(1)Yb12 cuboctahedra, and faces with ten equivalent Yb(1)Yb8V4 cuboctahedra. In the second Yb site, Yb(2) is bonded to eight equivalent Yb(1) and four equivalent V(1) atoms to form distorted YbYb8V4 cuboctahedra that share corners with four equivalent Yb(2)Yb8V4 cuboctahedra, corners with eight equivalent V(1)Yb12 cuboctahedra, edges with eight equivalent Yb(2)Yb8V4 cuboctahedra, edges with sixteen equivalent Yb(1)Yb8V4 cuboctahedra, faces with four equivalent Yb(2)Yb8V4 cuboctahedra, faces with six equivalent V(1)Yb12 cuboctahedra, and faces with eight equivalent Yb(1)Yb8V4 cuboctahedra. V(1) is bonded to four equivalent Yb(2) and eight equivalent Yb(1) atoms to form VYb12 cuboctahedra that share corners with four equivalent V(1)Yb12 cuboctahedra, corners with eight equivalent Yb(2)Yb8V4 cuboctahedra, edges with eight equivalent V(1)Yb12 cuboctahedra, edges with sixteen equivalent Yb(1)Yb8V4 cuboctahedra, faces with four equivalent V(1)Yb12 cuboctahedra, faces with six equivalent Yb(2)Yb8V4 cuboctahedra, and faces with eight equivalent Yb(1)Yb8V4 cuboctahedra.
Yb3V is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent Yb sites. In the first Yb site, Yb(1) is bonded to four equivalent Yb(1), four equivalent Yb(2), and four equivalent V(1) atoms to form distorted YbYb8V4 cuboctahedra that share corners with twelve equivalent Yb(1)Yb8V4 cuboctahedra, edges with eight equivalent Yb(1)Yb8V4 cuboctahedra, edges with eight equivalent Yb(2)Yb8V4 cuboctahedra, edges with eight equivalent V(1)Yb12 cuboctahedra, faces with four equivalent Yb(2)Yb8V4 cuboctahedra, faces with four equivalent V(1)Yb12 cuboctahedra, and faces with ten equivalent Yb(1)Yb8V4 cuboctahedra. All Yb(1)-Yb(1) bond lengths are 3.54 Å. All Yb(1)-Yb(2) bond lengths are 3.52 Å. All Yb(1)-V(1) bond lengths are 3.52 Å. In the second Yb site, Yb(2) is bonded to eight equivalent Yb(1) and four equivalent V(1) atoms to form distorted YbYb8V4 cuboctahedra that share corners with four equivalent Yb(2)Yb8V4 cuboctahedra, corners with eight equivalent V(1)Yb12 cuboctahedra, edges with eight equivalent Yb(2)Yb8V4 cuboctahedra, edges with sixteen equivalent Yb(1)Yb8V4 cuboctahedra, faces with four equivalent Yb(2)Yb8V4 cuboctahedra, faces with six equivalent V(1)Yb12 cuboctahedra, and faces with eight equivalent Yb(1)Yb8V4 cuboctahedra. All Yb(2)-V(1) bond lengths are 3.54 Å. V(1) is bonded to four equivalent Yb(2) and eight equivalent Yb(1) atoms to form VYb12 cuboctahedra that share corners with four equivalent V(1)Yb12 cuboctahedra, corners with eight equivalent Yb(2)Yb8V4 cuboctahedra, edges with eight equivalent V(1)Yb12 cuboctahedra, edges with sixteen equivalent Yb(1)Yb8V4 cuboctahedra, faces with four equivalent V(1)Yb12 cuboctahedra, faces with six equivalent Yb(2)Yb8V4 cuboctahedra, and faces with eight equivalent Yb(1)Yb8V4 cuboctahedra.