Fe2Ti is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded in a 16-coordinate geometry to four equivalent Ti(1), three equivalent Fe(2), and nine equivalent Fe(1) atoms. There are two inequivalent Fe sites. In the first Fe site, Fe(2) is bonded to six equivalent Ti(1) and six equivalent Fe(1) atoms to form a mixture of edge, corner, and face-sharing FeTi6Fe6 cuboctahedra. In the second Fe site, Fe(1) is bonded to six equivalent Ti(1), two equivalent Fe(2), and four equivalent Fe(1) atoms to form a mixture of edge, corner, and face-sharing FeTi6Fe6 cuboctahedra.
Fe2Ti is Hexagonal Laves structured and crystallizes in the hexagonal P6_3/mmc space group. Ti(1) is bonded in a 16-coordinate geometry to four equivalent Ti(1), three equivalent Fe(2), and nine equivalent Fe(1) atoms. There are three shorter (2.95 Å) and one longer (2.97 Å) Ti(1)-Ti(1) bond length. All Ti(1)-Fe(2) bond lengths are 2.84 Å. There are three shorter (2.80 Å) and six longer (2.84 Å) Ti(1)-Fe(1) bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe(2) is bonded to six equivalent Ti(1) and six equivalent Fe(1) atoms to form a mixture of edge, corner, and face-sharing FeTi6Fe6 cuboctahedra. All Fe(2)-Fe(1) bond lengths are 2.42 Å. In the second Fe site, Fe(1) is bonded to six equivalent Ti(1), two equivalent Fe(2), and four equivalent Fe(1) atoms to form a mixture of edge, corner, and face-sharing FeTi6Fe6 cuboctahedra. There are two shorter (2.39 Å) and two longer (2.46 Å) Fe(1)-Fe(1) bond lengths.