CoOOH crystallizes in the triclinic P1 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form edge-sharing CoO6 octahedra. In the third Co site, Co(3) is bonded to three equivalent O(4) and three equivalent O(7) atoms to form edge-sharing CoO6 octahedra. In the fourth Co site, Co(4) is bonded to three equivalent O(1) and three equivalent O(8) atoms to form edge-sharing CoO6 octahedra. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(5) atom. In the second H site, H(2) is bonded in a linear geometry to one O(2) and one O(6) atom. In the third H site, H(3) is bonded in a linear geometry to one O(3) and one O(7) atom. In the fourth H site, H(4) is bonded in a linear geometry to one O(4) and one O(8) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Co(4) and one H(1) atom to form distorted corner-sharing OCo3H tetrahedra. In the second O site, O(2) is bonded to three equivalent Co(1) and one H(2) atom to form distorted corner-sharing OCo3H tetrahedra. In the third O site, O(3) is bonded to three equivalent Co(2) and one H(3) atom to form distorted corner-sharing OCo3H tetrahedra. In the fourth O site, O(4) is bonded to three equivalent Co(3) and one H(4) atom to form distorted corner-sharing OCo3H tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to three equivalent Co(1) and one H(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to three equivalent Co(2) and one H(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to three equivalent Co(3) and one H(3) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Co(4) and one H(4) atom.
CoOOH crystallizes in the triclinic P1 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to three equivalent O(2) and three equivalent O(5) atoms to form edge-sharing CoO6 octahedra. There are a spread of Co(1)-O(2) bond distances ranging from 1.91-2.11 Å. There are a spread of Co(1)-O(5) bond distances ranging from 1.94-2.16 Å. In the second Co site, Co(2) is bonded to three equivalent O(3) and three equivalent O(6) atoms to form edge-sharing CoO6 octahedra. There are a spread of Co(2)-O(3) bond distances ranging from 1.91-2.11 Å. There are a spread of Co(2)-O(6) bond distances ranging from 1.94-2.16 Å. In the third Co site, Co(3) is bonded to three equivalent O(4) and three equivalent O(7) atoms to form edge-sharing CoO6 octahedra. There are a spread of Co(3)-O(4) bond distances ranging from 1.89-2.06 Å. There are a spread of Co(3)-O(7) bond distances ranging from 2.01-2.09 Å. In the fourth Co site, Co(4) is bonded to three equivalent O(1) and three equivalent O(8) atoms to form edge-sharing CoO6 octahedra. There are a spread of Co(4)-O(1) bond distances ranging from 1.89-2.07 Å. There are a spread of Co(4)-O(8) bond distances ranging from 2.01-2.08 Å. There are four inequivalent H sites. In the first H site, H(1) is bonded in a linear geometry to one O(1) and one O(5) atom. The H(1)-O(1) bond length is 1.44 Å. The H(1)-O(5) bond length is 1.06 Å. In the second H site, H(2) is bonded in a linear geometry to one O(2) and one O(6) atom. The H(2)-O(2) bond length is 1.46 Å. The H(2)-O(6) bond length is 1.05 Å. In the third H site, H(3) is bonded in a linear geometry to one O(3) and one O(7) atom. The H(3)-O(3) bond length is 1.47 Å. The H(3)-O(7) bond length is 1.05 Å. In the fourth H site, H(4) is bonded in a linear geometry to one O(4) and one O(8) atom. The H(4)-O(4) bond length is 1.45 Å. The H(4)-O(8) bond length is 1.05 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Co(4) and one H(1) atom to form distorted corner-sharing OCo3H tetrahedra. In the second O site, O(2) is bonded to three equivalent Co(1) and one H(2) atom to form distorted corner-sharing OCo3H tetrahedra. In the third O site, O(3) is bonded to three equivalent Co(2) and one H(3) atom to form distorted corner-sharing OCo3H tetrahedra. In the fourth O site, O(4) is bonded to three equivalent Co(3) and one H(4) atom to form distorted corner-sharing OCo3H tetrahedra. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to three equivalent Co(1) and one H(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to three equivalent Co(2) and one H(2) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to three equivalent Co(3) and one H(3) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to three equivalent Co(4) and one H(4) atom.