ZrTiMo4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Ti(1) and twelve equivalent Mo(1) atoms. Ti(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1) and twelve equivalent Mo(1) atoms. Mo(1) is bonded to three equivalent Zr(1), three equivalent Ti(1), and six equivalent Mo(1) atoms to form a mixture of corner, edge, and face-sharing MoZr3Ti3Mo6 cuboctahedra.
ZrTiMo4 is Hexagonal Laves-derived structured and crystallizes in the cubic F-43m space group. Zr(1) is bonded in a 16-coordinate geometry to four equivalent Ti(1) and twelve equivalent Mo(1) atoms. All Zr(1)-Ti(1) bond lengths are 3.26 Å. All Zr(1)-Mo(1) bond lengths are 3.13 Å. Ti(1) is bonded in a 16-coordinate geometry to four equivalent Zr(1) and twelve equivalent Mo(1) atoms. All Ti(1)-Mo(1) bond lengths are 3.12 Å. Mo(1) is bonded to three equivalent Zr(1), three equivalent Ti(1), and six equivalent Mo(1) atoms to form a mixture of corner, edge, and face-sharing MoZr3Ti3Mo6 cuboctahedra. There are three shorter (2.66 Å) and three longer (2.67 Å) Mo(1)-Mo(1) bond lengths.