Zr4MoNi crystallizes in the cubic F-43m space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to three equivalent Mo(1) and three equivalent Ni(1) atoms. In the second Zr site, Zr(2) is bonded in a 4-coordinate geometry to two equivalent Mo(1) and two equivalent Ni(1) atoms. In the third Zr site, Zr(3) is bonded in a 2-coordinate geometry to two equivalent Mo(1) atoms. Mo(1) is bonded in a 12-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), three equivalent Zr(3), and three equivalent Mo(1) atoms. Ni(1) is bonded in a 6-coordinate geometry to three equivalent Zr(1) and three equivalent Zr(2) atoms.
Zr4MoNi crystallizes in the cubic F-43m space group. There are three inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 6-coordinate geometry to three equivalent Mo(1) and three equivalent Ni(1) atoms. All Zr(1)-Mo(1) bond lengths are 3.08 Å. All Zr(1)-Ni(1) bond lengths are 2.63 Å. In the second Zr site, Zr(2) is bonded in a 4-coordinate geometry to two equivalent Mo(1) and two equivalent Ni(1) atoms. Both Zr(2)-Mo(1) bond lengths are 3.06 Å. Both Zr(2)-Ni(1) bond lengths are 2.61 Å. In the third Zr site, Zr(3) is bonded in a 2-coordinate geometry to two equivalent Mo(1) atoms. Both Zr(3)-Mo(1) bond lengths are 2.96 Å. Mo(1) is bonded in a 12-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), three equivalent Zr(3), and three equivalent Mo(1) atoms. All Mo(1)-Mo(1) bond lengths are 2.91 Å. Ni(1) is bonded in a 6-coordinate geometry to three equivalent Zr(1) and three equivalent Zr(2) atoms.