V3Cu is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to four equivalent V(1), four equivalent V(2), and four equivalent Cu(1) atoms to form VV8Cu4 cuboctahedra that share corners with twelve equivalent V(1)V8Cu4 cuboctahedra, edges with eight equivalent V(1)V8Cu4 cuboctahedra, edges with eight equivalent V(2)V8Cu4 cuboctahedra, edges with eight equivalent Cu(1)V12 cuboctahedra, faces with four equivalent V(2)V8Cu4 cuboctahedra, faces with four equivalent Cu(1)V12 cuboctahedra, and faces with ten equivalent V(1)V8Cu4 cuboctahedra. In the second V site, V(2) is bonded to eight equivalent V(1) and four equivalent Cu(1) atoms to form distorted VV8Cu4 cuboctahedra that share corners with four equivalent V(2)V8Cu4 cuboctahedra, corners with eight equivalent Cu(1)V12 cuboctahedra, edges with eight equivalent V(2)V8Cu4 cuboctahedra, edges with sixteen equivalent V(1)V8Cu4 cuboctahedra, faces with four equivalent V(2)V8Cu4 cuboctahedra, faces with six equivalent Cu(1)V12 cuboctahedra, and faces with eight equivalent V(1)V8Cu4 cuboctahedra. Cu(1) is bonded to four equivalent V(2) and eight equivalent V(1) atoms to form CuV12 cuboctahedra that share corners with four equivalent Cu(1)V12 cuboctahedra, corners with eight equivalent V(2)V8Cu4 cuboctahedra, edges with eight equivalent Cu(1)V12 cuboctahedra, edges with sixteen equivalent V(1)V8Cu4 cuboctahedra, faces with four equivalent Cu(1)V12 cuboctahedra, faces with six equivalent V(2)V8Cu4 cuboctahedra, and faces with eight equivalent V(1)V8Cu4 cuboctahedra.
V3Cu is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. There are two inequivalent V sites. In the first V site, V(1) is bonded to four equivalent V(1), four equivalent V(2), and four equivalent Cu(1) atoms to form VV8Cu4 cuboctahedra that share corners with twelve equivalent V(1)V8Cu4 cuboctahedra, edges with eight equivalent V(1)V8Cu4 cuboctahedra, edges with eight equivalent V(2)V8Cu4 cuboctahedra, edges with eight equivalent Cu(1)V12 cuboctahedra, faces with four equivalent V(2)V8Cu4 cuboctahedra, faces with four equivalent Cu(1)V12 cuboctahedra, and faces with ten equivalent V(1)V8Cu4 cuboctahedra. All V(1)-V(1) bond lengths are 2.58 Å. All V(1)-V(2) bond lengths are 2.66 Å. All V(1)-Cu(1) bond lengths are 2.66 Å. In the second V site, V(2) is bonded to eight equivalent V(1) and four equivalent Cu(1) atoms to form distorted VV8Cu4 cuboctahedra that share corners with four equivalent V(2)V8Cu4 cuboctahedra, corners with eight equivalent Cu(1)V12 cuboctahedra, edges with eight equivalent V(2)V8Cu4 cuboctahedra, edges with sixteen equivalent V(1)V8Cu4 cuboctahedra, faces with four equivalent V(2)V8Cu4 cuboctahedra, faces with six equivalent Cu(1)V12 cuboctahedra, and faces with eight equivalent V(1)V8Cu4 cuboctahedra. All V(2)-Cu(1) bond lengths are 2.58 Å. Cu(1) is bonded to four equivalent V(2) and eight equivalent V(1) atoms to form CuV12 cuboctahedra that share corners with four equivalent Cu(1)V12 cuboctahedra, corners with eight equivalent V(2)V8Cu4 cuboctahedra, edges with eight equivalent Cu(1)V12 cuboctahedra, edges with sixteen equivalent V(1)V8Cu4 cuboctahedra, faces with four equivalent Cu(1)V12 cuboctahedra, faces with six equivalent V(2)V8Cu4 cuboctahedra, and faces with eight equivalent V(1)V8Cu4 cuboctahedra.