CoPt3O6 crystallizes in the orthorhombic Cmmm space group. Co(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. In the second Pt site, Pt(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 61°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Co(1) and two equivalent Pt(2) atoms to form OCo2Pt2 tetrahedra that share corners with six equivalent O(1)Co2Pt2 tetrahedra, corners with eight equivalent O(2)CoPt3 tetrahedra,  an edgeedge with one O(1)Co2Pt2 tetrahedra, and edges with four equivalent O(2)CoPt3 tetrahedra. In the second O site, O(2) is bonded to one Co(1), one Pt(1), and two equivalent Pt(2) atoms to form OCoPt3 tetrahedra that share corners with four equivalent O(1)Co2Pt2 tetrahedra, corners with eight equivalent O(2)CoPt3 tetrahedra, edges with two equivalent O(1)Co2Pt2 tetrahedra, and edges with two equivalent O(2)CoPt3 tetrahedra.
CoPt3O6 crystallizes in the orthorhombic Cmmm space group. Co(1) is bonded in a body-centered cubic geometry to four equivalent O(1) and four equivalent O(2) atoms. All Co(1)-O(1) bond lengths are 2.16 Å. All Co(1)-O(2) bond lengths are 2.38 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a square co-planar geometry to four equivalent O(2) atoms. All Pt(1)-O(2) bond lengths are 1.97 Å. In the second Pt site, Pt(2) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form a mixture of distorted corner and edge-sharing PtO6 octahedra. The corner-sharing octahedral tilt angles are 61°. Both Pt(2)-O(1) bond lengths are 2.04 Å. All Pt(2)-O(2) bond lengths are 2.03 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Co(1) and two equivalent Pt(2) atoms to form OCo2Pt2 tetrahedra that share corners with six equivalent O(1)Co2Pt2 tetrahedra, corners with eight equivalent O(2)CoPt3 tetrahedra,  an edgeedge with one O(1)Co2Pt2 tetrahedra, and edges with four equivalent O(2)CoPt3 tetrahedra. In the second O site, O(2) is bonded to one Co(1), one Pt(1), and two equivalent Pt(2) atoms to form OCoPt3 tetrahedra that share corners with four equivalent O(1)Co2Pt2 tetrahedra, corners with eight equivalent O(2)CoPt3 tetrahedra, edges with two equivalent O(1)Co2Pt2 tetrahedra, and edges with two equivalent O(2)CoPt3 tetrahedra.