TiV2Al crystallizes in the orthorhombic Cmm2 space group. Ti(1) is bonded in a 8-coordinate geometry to four equivalent Ti(1), two equivalent V(1), and two equivalent Al(1) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent V(2), and four equivalent V(1) atoms. In the second V site, V(2) is bonded in a 8-coordinate geometry to two equivalent V(1), four equivalent V(2), and two equivalent Al(1) atoms. Al(1) is bonded in a distorted body-centered cubic geometry to two equivalent Ti(1), two equivalent V(2), and four equivalent Al(1) atoms.
TiV2Al crystallizes in the orthorhombic Cmm2 space group. Ti(1) is bonded in a 8-coordinate geometry to four equivalent Ti(1), two equivalent V(1), and two equivalent Al(1) atoms. All Ti(1)-Ti(1) bond lengths are 2.69 Å. Both Ti(1)-V(1) bond lengths are 2.67 Å. Both Ti(1)-Al(1) bond lengths are 2.83 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a 8-coordinate geometry to two equivalent Ti(1), two equivalent V(2), and four equivalent V(1) atoms. Both V(1)-V(2) bond lengths are 2.55 Å. All V(1)-V(1) bond lengths are 2.69 Å. In the second V site, V(2) is bonded in a 8-coordinate geometry to two equivalent V(1), four equivalent V(2), and two equivalent Al(1) atoms. All V(2)-V(2) bond lengths are 2.69 Å. Both V(2)-Al(1) bond lengths are 2.67 Å. Al(1) is bonded in a distorted body-centered cubic geometry to two equivalent Ti(1), two equivalent V(2), and four equivalent Al(1) atoms. All Al(1)-Al(1) bond lengths are 2.69 Å.