FeTi4 crystallizes in the orthorhombic Fmmm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted L-shaped geometry to two equivalent Ti(2) and two equivalent Fe(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. Fe(1) is bonded in a distorted square co-planar geometry to four equivalent Ti(1) atoms.
FeTi4 crystallizes in the orthorhombic Fmmm space group. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a distorted L-shaped geometry to two equivalent Ti(2) and two equivalent Fe(1) atoms. Both Ti(1)-Ti(2) bond lengths are 2.90 Å. Both Ti(1)-Fe(1) bond lengths are 2.40 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 two shorter (2.78 Å) and four longer (2.82 Å) Ti(2)-Ti(2) bond lengths. Fe(1) is bonded in a distorted square co-planar geometry to four equivalent Ti(1) atoms.