Zr2NiIn5 crystallizes in the tetragonal P4_2/mnm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 11-coordinate geometry to one Ni(1), two equivalent In(2), and eight equivalent In(1) atoms. In the second Zr site, Zr(2) is bonded in a 12-coordinate geometry to two equivalent Ni(1), two equivalent In(2), and eight equivalent In(1) atoms. Ni(1) is bonded in a 9-coordinate geometry to one Zr(1), two equivalent Zr(2), two equivalent In(2), and four equivalent In(1) atoms. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), one Ni(1), one In(2), and three equivalent In(1) atoms. In the second In site, In(2) is bonded in a 11-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), two equivalent Ni(1), one In(2), and four equivalent In(1) atoms.
Zr2NiIn5 crystallizes in the tetragonal P4_2/mnm space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 11-coordinate geometry to one Ni(1), two equivalent In(2), and eight equivalent In(1) atoms. The Zr(1)-Ni(1) bond length is 2.67 Å. Both Zr(1)-In(2) bond lengths are 3.15 Å. There are four shorter (3.09 Å) and four longer (3.16 Å) Zr(1)-In(1) bond lengths. In the second Zr site, Zr(2) is bonded in a 12-coordinate geometry to two equivalent Ni(1), two equivalent In(2), and eight equivalent In(1) atoms. Both Zr(2)-Ni(1) bond lengths are 2.82 Å. Both Zr(2)-In(2) bond lengths are 3.06 Å. There are four shorter (3.21 Å) and four longer (3.22 Å) Zr(2)-In(1) bond lengths. Ni(1) is bonded in a 9-coordinate geometry to one Zr(1), two equivalent Zr(2), two equivalent In(2), and four equivalent In(1) atoms. Both Ni(1)-In(2) bond lengths are 2.58 Å. All Ni(1)-In(1) bond lengths are 2.71 Å. There are two inequivalent In sites. In the first In site, In(1) is bonded in a 9-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), one Ni(1), one In(2), and three equivalent In(1) atoms. The In(1)-In(2) bond length is 3.07 Å. There is one shorter (2.99 Å) and two longer (3.01 Å) In(1)-In(1) bond lengths. In the second In site, In(2) is bonded in a 11-coordinate geometry to two equivalent Zr(1), two equivalent Zr(2), two equivalent Ni(1), one In(2), and four equivalent In(1) atoms. The In(2)-In(2) bond length is 2.74 Å.