Zr2Ni2Sn 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 10-coordinate geometry to six equivalent Ni(1) and four equivalent Sn(1) atoms. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent Ni(1) and four equivalent Sn(1) atoms. Ni(1) is bonded in a 6-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), and two equivalent Sn(1) atoms. Sn(1) is bonded to four equivalent Zr(1), four equivalent Zr(2), and four equivalent Ni(1) atoms to form a mixture of distorted face and corner-sharing SnZr8Ni4 cuboctahedra.
Zr2Ni2Sn 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 10-coordinate geometry to six equivalent Ni(1) and four equivalent Sn(1) atoms. There are four shorter (2.68 Å) and two longer (2.74 Å) Zr(1)-Ni(1) bond lengths. All Zr(1)-Sn(1) bond lengths are 3.12 Å. In the second Zr site, Zr(2) is bonded in a 6-coordinate geometry to six equivalent Ni(1) and four equivalent Sn(1) atoms. There are two shorter (2.66 Å) and four longer (2.80 Å) Zr(2)-Ni(1) bond lengths. All Zr(2)-Sn(1) bond lengths are 3.19 Å. Ni(1) is bonded in a 6-coordinate geometry to three equivalent Zr(1), three equivalent Zr(2), and two equivalent Sn(1) atoms. Both Ni(1)-Sn(1) bond lengths are 2.82 Å. Sn(1) is bonded to four equivalent Zr(1), four equivalent Zr(2), and four equivalent Ni(1) atoms to form a mixture of distorted face and corner-sharing SnZr8Ni4 cuboctahedra.