Zr2CoH5 crystallizes in the tetragonal P4/ncc space group. Zr(1) is bonded in a 8-coordinate geometry to two equivalent H(1) and six equivalent H(2) atoms. Co(1) is bonded in a distorted square co-planar geometry to four equivalent H(2) atoms. There are two inequivalent H sites. In the first H site, H(1) is bonded to four equivalent Zr(1) atoms to form HZr4 tetrahedra that share corners with sixteen equivalent H(2)Zr3Co tetrahedra, edges with two equivalent H(1)Zr4 tetrahedra, and edges with four equivalent H(2)Zr3Co tetrahedra. In the second H site, H(2) is bonded to three equivalent Zr(1) and one Co(1) atom to form HZr3Co tetrahedra that share corners with four equivalent H(1)Zr4 tetrahedra, corners with twelve equivalent H(2)Zr3Co tetrahedra,  an edgeedge with one H(1)Zr4 tetrahedra, and edges with three equivalent H(2)Zr3Co tetrahedra.
Zr2CoH5 crystallizes in the tetragonal P4/ncc space group. Zr(1) is bonded in a 8-coordinate geometry to two equivalent H(1) and six equivalent H(2) atoms. Both Zr(1)-H(1) bond lengths are 2.13 Å. There are a spread of Zr(1)-H(2) bond distances ranging from 2.07-2.16 Å. Co(1) is bonded in a distorted square co-planar geometry to four equivalent H(2) atoms. All Co(1)-H(2) bond lengths are 1.63 Å. There are two inequivalent H sites. In the first H site, H(1) is bonded to four equivalent Zr(1) atoms to form HZr4 tetrahedra that share corners with sixteen equivalent H(2)Zr3Co tetrahedra, edges with two equivalent H(1)Zr4 tetrahedra, and edges with four equivalent H(2)Zr3Co tetrahedra. In the second H site, H(2) is bonded to three equivalent Zr(1) and one Co(1) atom to form HZr3Co tetrahedra that share corners with four equivalent H(1)Zr4 tetrahedra, corners with twelve equivalent H(2)Zr3Co tetrahedra,  an edgeedge with one H(1)Zr4 tetrahedra, and edges with three equivalent H(2)Zr3Co tetrahedra.