Zr6Co(SnH5)2 crystallizes in the hexagonal P-62c space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 7-coordinate geometry to two equivalent Sn(1), one H(4), two equivalent H(1), two equivalent H(2), and two equivalent H(3) atoms. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to four equivalent Sn(1), one H(3), two equivalent H(1), and two equivalent H(2) atoms. Co(1) is bonded to two equivalent H(4) and three equivalent H(3) atoms to form corner-sharing CoH5 trigonal bipyramids. Sn(1) is bonded in a 10-coordinate geometry to three equivalent Zr(1), six equivalent Zr(2), and one Sn(1) atom. There are four inequivalent H sites. In the first H site, H(4) is bonded to three equivalent Zr(1) and two equivalent Co(1) atoms to form HZr3Co2 trigonal bipyramids that share corners with six equivalent H(2)Zr4 tetrahedra, corners with two equivalent H(4)Zr3Co2 trigonal bipyramids, edges with three equivalent H(1)Zr4 tetrahedra, and edges with six equivalent H(3)Zr3Co tetrahedra. In the second H site, H(1) is bonded to two equivalent Zr(1) and two equivalent Zr(2) atoms to form HZr4 tetrahedra that share corners with two equivalent H(3)Zr3Co tetrahedra, corners with four equivalent H(1)Zr4 tetrahedra, corners with four equivalent H(2)Zr4 tetrahedra, edges with two equivalent H(3)Zr3Co tetrahedra, edges with two equivalent H(2)Zr4 tetrahedra, and  an edgeedge with one H(4)Zr3Co2 trigonal bipyramid. In the third H site, H(2) is bonded to two equivalent Zr(1) and two equivalent Zr(2) atoms to form HZr4 tetrahedra that share corners with four equivalent H(3)Zr3Co tetrahedra, corners with four equivalent H(1)Zr4 tetrahedra, corners with four equivalent H(2)Zr4 tetrahedra, corners with two equivalent H(4)Zr3Co2 trigonal bipyramids,  an edgeedge with one H(3)Zr3Co tetrahedra, and edges with two equivalent H(1)Zr4 tetrahedra. In the fourth H site, H(3) is bonded to one Zr(2), two equivalent Zr(1), and one Co(1) atom to form distorted HZr3Co tetrahedra that share corners with two equivalent H(1)Zr4 tetrahedra, corners with four equivalent H(3)Zr3Co tetrahedra, corners with four equivalent H(2)Zr4 tetrahedra,  an edgeedge with one H(2)Zr4 tetrahedra, edges with two equivalent H(1)Zr4 tetrahedra, and edges with two equivalent H(4)Zr3Co2 trigonal bipyramids.
Zr6Co(SnH5)2 crystallizes in the hexagonal P-62c space group. There are two inequivalent Zr sites. In the first Zr site, Zr(1) is bonded in a 7-coordinate geometry to two equivalent Sn(1), one H(4), two equivalent H(1), two equivalent H(2), and two equivalent H(3) atoms. Both Zr(1)-Sn(1) bond lengths are 3.10 Å. The Zr(1)-H(4) bond length is 2.08 Å. Both Zr(1)-H(1) bond lengths are 2.18 Å. Both Zr(1)-H(2) bond lengths are 2.13 Å. Both Zr(1)-H(3) bond lengths are 2.12 Å. In the second Zr site, Zr(2) is bonded in a 5-coordinate geometry to four equivalent Sn(1), one H(3), two equivalent H(1), and two equivalent H(2) atoms. There are two shorter (3.07 Å) and two longer (3.21 Å) Zr(2)-Sn(1) bond lengths. The Zr(2)-H(3) bond length is 2.13 Å. Both Zr(2)-H(1) bond lengths are 2.10 Å. There is one shorter (2.08 Å) and one longer (2.15 Å) Zr(2)-H(2) bond length. Co(1) is bonded to two equivalent H(4) and three equivalent H(3) atoms to form corner-sharing CoH5 trigonal bipyramids. Both Co(1)-H(4) bond lengths are 1.84 Å. All Co(1)-H(3) bond lengths are 1.66 Å. Sn(1) is bonded in a 10-coordinate geometry to three equivalent Zr(1), six equivalent Zr(2), and one Sn(1) atom. The Sn(1)-Sn(1) bond length is 3.07 Å. There are four inequivalent H sites. In the first H site, H(4) is bonded to three equivalent Zr(1) and two equivalent Co(1) atoms to form HZr3Co2 trigonal bipyramids that share corners with six equivalent H(2)Zr4 tetrahedra, corners with two equivalent H(4)Zr3Co2 trigonal bipyramids, edges with three equivalent H(1)Zr4 tetrahedra, and edges with six equivalent H(3)Zr3Co tetrahedra. In the second H site, H(1) is bonded to two equivalent Zr(1) and two equivalent Zr(2) atoms to form HZr4 tetrahedra that share corners with two equivalent H(3)Zr3Co tetrahedra, corners with four equivalent H(1)Zr4 tetrahedra, corners with four equivalent H(2)Zr4 tetrahedra, edges with two equivalent H(3)Zr3Co tetrahedra, edges with two equivalent H(2)Zr4 tetrahedra, and  an edgeedge with one H(4)Zr3Co2 trigonal bipyramid. In the third H site, H(2) is bonded to two equivalent Zr(1) and two equivalent Zr(2) atoms to form HZr4 tetrahedra that share corners with four equivalent H(3)Zr3Co tetrahedra, corners with four equivalent H(1)Zr4 tetrahedra, corners with four equivalent H(2)Zr4 tetrahedra, corners with two equivalent H(4)Zr3Co2 trigonal bipyramids,  an edgeedge with one H(3)Zr3Co tetrahedra, and edges with two equivalent H(1)Zr4 tetrahedra. In the fourth H site, H(3) is bonded to one Zr(2), two equivalent Zr(1), and one Co(1) atom to form distorted HZr3Co tetrahedra that share corners with two equivalent H(1)Zr4 tetrahedra, corners with four equivalent H(3)Zr3Co tetrahedra, corners with four equivalent H(2)Zr4 tetrahedra,  an edgeedge with one H(2)Zr4 tetrahedra, edges with two equivalent H(1)Zr4 tetrahedra, and edges with two equivalent H(4)Zr3Co2 trigonal bipyramids.