Ti4V crystallizes in the orthorhombic Fmmm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 2-coordinate geometry to two equivalent Ti(2) and two equivalent V(1) atoms. In the second Ti site, Ti(2) is bonded in a distorted body-centered cubic geometry to two equivalent Ti(1) and six equivalent Ti(2) atoms. V(1) is bonded in a 4-coordinate geometry to four equivalent Ti(1) atoms.
Ti4V crystallizes in the orthorhombic Fmmm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 2-coordinate geometry to two equivalent Ti(2) and two equivalent V(1) atoms. Both Ti(1)-Ti(2) bond lengths are 2.93 Å. Both Ti(1)-V(1) bond lengths are 2.61 Å. In the second Ti site, Ti(2) is bonded in a distorted body-centered cubic geometry to two equivalent Ti(1) and six equivalent Ti(2) atoms. There are four shorter (2.77 Å) and two longer (2.80 Å) Ti(2)-Ti(2) bond lengths. V(1) is bonded in a 4-coordinate geometry to four equivalent Ti(1) atoms.