Zr4Co2In5 crystallizes in the monoclinic P2/m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 10-coordinate geometry to four equivalent Co(1), two equivalent In(2), and four equivalent In(1) atoms. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to two equivalent Co(1), two equivalent In(1), two equivalent In(3), and four equivalent In(2) atoms. Co(1) is bonded in a 9-coordinate geometry to two equivalent Zr(2), four equivalent Zr(1), one Co(1), one In(1), and one In(2) atom. There are three inequivalent In sites. In the first In site, In(1) is bonded to two equivalent Zr(2), four equivalent Zr(1), one Co(1), one In(2), one In(3), and three equivalent In(1) atoms to form a mixture of distorted face and corner-sharing InZr6In5Co cuboctahedra. In the second In site, In(2) is bonded in a 12-coordinate geometry to two equivalent Zr(1), four equivalent Zr(2), one Co(1), one In(1), one In(3), and three equivalent In(2) atoms. In the third In site, In(3) is bonded in a 10-coordinate geometry to four equivalent Zr(2), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms.
Zr4Co2In5 crystallizes in the monoclinic P2/m space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 10-coordinate geometry to four equivalent Co(1), two equivalent In(2), and four equivalent In(1) atoms. There are two shorter (2.62 Å) and two longer (2.70 Å) Zr(1)-Co(1) bond lengths. Both Zr(1)-In(2) bond lengths are 3.15 Å. There are two shorter (3.17 Å) and two longer (3.26 Å) Zr(1)-In(1) bond lengths. In the second Zr site, Zr(2) is bonded in a 2-coordinate geometry to two equivalent Co(1), two equivalent In(1), two equivalent In(3), and four equivalent In(2) atoms. Both Zr(2)-Co(1) bond lengths are 2.57 Å. Both Zr(2)-In(1) bond lengths are 3.17 Å. Both Zr(2)-In(3) bond lengths are 3.15 Å. There are two shorter (3.05 Å) and two longer (3.20 Å) Zr(2)-In(2) bond lengths. Co(1) is bonded in a 9-coordinate geometry to two equivalent Zr(2), four equivalent Zr(1), one Co(1), one In(1), and one In(2) atom. The Co(1)-Co(1) bond length is 2.60 Å. The Co(1)-In(1) bond length is 2.86 Å. The Co(1)-In(2) bond length is 2.79 Å. There are three inequivalent In sites. In the first In site, In(1) is bonded to two equivalent Zr(2), four equivalent Zr(1), one Co(1), one In(2), one In(3), and three equivalent In(1) atoms to form a mixture of distorted face and corner-sharing InZr6In5Co cuboctahedra. The In(1)-In(2) bond length is 3.22 Å. The In(1)-In(3) bond length is 2.99 Å. There is one shorter (3.15 Å) and two longer (3.29 Å) In(1)-In(1) bond lengths. In the second In site, In(2) is bonded in a 12-coordinate geometry to two equivalent Zr(1), four equivalent Zr(2), one Co(1), one In(1), one In(3), and three equivalent In(2) atoms. The In(2)-In(3) bond length is 2.97 Å. There are two shorter (3.29 Å) and one longer (3.36 Å) In(2)-In(2) bond length. In the third In site, In(3) is bonded in a 10-coordinate geometry to four equivalent Zr(2), two equivalent In(1), two equivalent In(2), and two equivalent In(3) atoms. Both In(3)-In(3) bond lengths are 3.29 Å.