PtCoO2 crystallizes in the monoclinic C2 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing CoO6 octahedra. In the third Co site, Co(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing CoO6 octahedra. In the fourth Co site, Co(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing CoO6 octahedra. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a linear geometry to one O(1) and one O(3) atom. In the second Pt site, Pt(2) is bonded in a linear geometry to one O(2) and one O(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), one Co(4), and one Pt(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), one Co(3), and one Pt(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Co(2), one Co(3), one Co(4), and one Pt(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(3), one Co(4), and one Pt(2) atom.
PtCoO2 crystallizes in the monoclinic C2 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form edge-sharing CoO6 octahedra. Both Co(1)-O(1) bond lengths are 1.97 Å. Both Co(1)-O(2) bond lengths are 2.05 Å. Both Co(1)-O(4) bond lengths are 2.03 Å. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(3) atoms to form edge-sharing CoO6 octahedra. Both Co(2)-O(1) bond lengths are 2.02 Å. Both Co(2)-O(2) bond lengths are 1.97 Å. Both Co(2)-O(3) bond lengths are 2.01 Å. In the third Co site, Co(3) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing CoO6 octahedra. Both Co(3)-O(2) bond lengths are 2.04 Å. Both Co(3)-O(3) bond lengths are 1.98 Å. Both Co(3)-O(4) bond lengths are 2.04 Å. In the fourth Co site, Co(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form edge-sharing CoO6 octahedra. Both Co(4)-O(1) bond lengths are 2.03 Å. Both Co(4)-O(3) bond lengths are 2.05 Å. Both Co(4)-O(4) bond lengths are 1.97 Å. There are two inequivalent Pt sites. In the first Pt site, Pt(1) is bonded in a linear geometry to one O(1) and one O(3) atom. The Pt(1)-O(1) bond length is 1.99 Å. The Pt(1)-O(3) bond length is 1.99 Å. In the second Pt site, Pt(2) is bonded in a linear geometry to one O(2) and one O(4) atom. The Pt(2)-O(2) bond length is 1.98 Å. The Pt(2)-O(4) bond length is 1.97 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), one Co(4), and one Pt(1) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(2), one Co(3), and one Pt(2) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Co(2), one Co(3), one Co(4), and one Pt(1) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Co(1), one Co(3), one Co(4), and one Pt(2) atom.