Ti4FeNi crystallizes in the cubic F-43m space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to three equivalent Ti(3), three equivalent Fe(1), and three equivalent Ni(1) atoms. In the second Ti site, Ti(2) is bonded in a 2-coordinate geometry to four equivalent Ti(3), two equivalent Fe(1), and two equivalent Ni(1) atoms. In the third Ti site, Ti(3) is bonded in a 14-coordinate geometry to two equivalent Ti(1), four equivalent Ti(2), four equivalent Ti(3), two equivalent Fe(1), and two equivalent Ni(1) atoms. Fe(1) is bonded in a 9-coordinate geometry to three equivalent Ti(1), three equivalent Ti(2), and three equivalent Ti(3) atoms. Ni(1) is bonded in a 6-coordinate geometry to three equivalent Ti(1), three equivalent Ti(2), and three equivalent Ti(3) atoms.
Ti4FeNi crystallizes in the cubic F-43m space group. There are three inequivalent Ti sites. In the first Ti site, Ti(1) is bonded in a 6-coordinate geometry to three equivalent Ti(3), three equivalent Fe(1), and three equivalent Ni(1) atoms. All Ti(1)-Ti(3) bond lengths are 2.93 Å. All Ti(1)-Fe(1) bond lengths are 2.48 Å. All Ti(1)-Ni(1) bond lengths are 2.50 Å. In the second Ti site, Ti(2) is bonded in a 2-coordinate geometry to four equivalent Ti(3), two equivalent Fe(1), and two equivalent Ni(1) atoms. All Ti(2)-Ti(3) bond lengths are 2.98 Å. Both Ti(2)-Fe(1) bond lengths are 2.85 Å. Both Ti(2)-Ni(1) bond lengths are 2.54 Å. In the third Ti site, Ti(3) is bonded in a 14-coordinate geometry to two equivalent Ti(1), four equivalent Ti(2), four equivalent Ti(3), two equivalent Fe(1), and two equivalent Ni(1) atoms. All Ti(3)-Ti(3) bond lengths are 2.94 Å. Both Ti(3)-Fe(1) bond lengths are 2.59 Å. Both Ti(3)-Ni(1) bond lengths are 2.91 Å. Fe(1) is bonded in a 9-coordinate geometry to three equivalent Ti(1), three equivalent Ti(2), and three equivalent Ti(3) atoms. Ni(1) is bonded in a 6-coordinate geometry to three equivalent Ti(1), three equivalent Ti(2), and three equivalent Ti(3) atoms.