HfV2 is Cubic Laves structured and crystallizes in the monoclinic C2/m space group. Hf(1) is bonded in a 16-coordinate geometry to four equivalent Hf(1), three equivalent V(2), three equivalent V(3), and six equivalent V(1) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to six equivalent Hf(1), two equivalent V(1), two equivalent V(2), and two equivalent V(3) atoms to form a mixture of corner, edge, and face-sharing VHf6V6 cuboctahedra. In the second V site, V(2) is bonded to six equivalent Hf(1), two equivalent V(3), and four equivalent V(1) atoms to form a mixture of corner, edge, and face-sharing VHf6V6 cuboctahedra. In the third V site, V(3) is bonded to six equivalent Hf(1), two equivalent V(2), and four equivalent V(1) atoms to form a mixture of corner, edge, and face-sharing VHf6V6 cuboctahedra.
HfV2 is Cubic Laves structured and crystallizes in the monoclinic C2/m space group. Hf(1) is bonded in a 16-coordinate geometry to four equivalent Hf(1), three equivalent V(2), three equivalent V(3), and six equivalent V(1) atoms. There are a spread of Hf(1)-Hf(1) bond distances ranging from 3.16-3.21 Å. There is one shorter (3.00 Å) and two longer (3.08 Å) Hf(1)-V(2) bond lengths. There is one shorter (2.98 Å) and two longer (3.10 Å) Hf(1)-V(3) bond lengths. There are a spread of Hf(1)-V(1) bond distances ranging from 2.98-3.12 Å. There are three inequivalent V sites. In the first V site, V(1) is bonded to six equivalent Hf(1), two equivalent V(1), two equivalent V(2), and two equivalent V(3) atoms to form a mixture of corner, edge, and face-sharing VHf6V6 cuboctahedra. Both V(1)-V(1) bond lengths are 2.65 Å. Both V(1)-V(2) bond lengths are 2.58 Å. Both V(1)-V(3) bond lengths are 2.59 Å. In the second V site, V(2) is bonded to six equivalent Hf(1), two equivalent V(3), and four equivalent V(1) atoms to form a mixture of corner, edge, and face-sharing VHf6V6 cuboctahedra. Both V(2)-V(3) bond lengths are 2.65 Å. In the third V site, V(3) is bonded to six equivalent Hf(1), two equivalent V(2), and four equivalent V(1) atoms to form a mixture of corner, edge, and face-sharing VHf6V6 cuboctahedra.