CoOOH crystallizes in the triclinic P1 space group. There are four inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form edge-sharing CoO6 octahedra. In the second Co site, Co(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form edge-sharing CoO6 octahedra. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form edge-sharing CoO6 octahedra. In the fourth Co site, Co(4) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom 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 in a 4-coordinate geometry to one Co(1), one Co(3), one Co(4), and one H(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one Co(3), and one H(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one Co(4), and one H(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Co(2), one Co(3), one Co(4), and one H(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Co(2), one Co(3), one Co(4), and one H(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one Co(4), and one H(2) atom. In the seventh O site, O(7) is bonded in a distorted tetrahedral geometry to one Co(1), one Co(3), one Co(4), and one H(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one Co(3), 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 one O(1), one O(2), one O(3), one O(6), one O(7), and one O(8) atom to form edge-sharing CoO6 octahedra. The Co(1)-O(1) bond length is 1.91 Å. The Co(1)-O(2) bond length is 2.16 Å. The Co(1)-O(3) bond length is 1.93 Å. The Co(1)-O(6) bond length is 1.92 Å. The Co(1)-O(7) bond length is 2.16 Å. The Co(1)-O(8) bond length is 1.91 Å. In the second Co site, Co(2) is bonded to one O(2), one O(3), one O(4), one O(5), one O(6), and one O(8) atom to form edge-sharing CoO6 octahedra. The Co(2)-O(2) bond length is 1.89 Å. The Co(2)-O(3) bond length is 1.94 Å. The Co(2)-O(4) bond length is 2.13 Å. The Co(2)-O(5) bond length is 1.88 Å. The Co(2)-O(6) bond length is 2.25 Å. The Co(2)-O(8) bond length is 1.95 Å. In the third Co site, Co(3) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form edge-sharing CoO6 octahedra. The Co(3)-O(1) bond length is 2.24 Å. The Co(3)-O(2) bond length is 1.89 Å. The Co(3)-O(4) bond length is 1.91 Å. The Co(3)-O(5) bond length is 1.91 Å. The Co(3)-O(7) bond length is 1.91 Å. The Co(3)-O(8) bond length is 2.22 Å. In the fourth Co site, Co(4) is bonded to one O(1), one O(3), one O(4), one O(5), one O(6), and one O(7) atom to form edge-sharing CoO6 octahedra. The Co(4)-O(1) bond length is 1.94 Å. The Co(4)-O(3) bond length is 2.26 Å. The Co(4)-O(4) bond length is 1.88 Å. The Co(4)-O(5) bond length is 2.14 Å. The Co(4)-O(6) bond length is 1.94 Å. The Co(4)-O(7) bond length is 1.89 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 1.06 Å. The H(1)-O(5) bond length is 1.45 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 1.47 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 1.05 Å. The H(3)-O(7) bond length is 1.48 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 1.06 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Co(1), one Co(3), one Co(4), and one H(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one Co(3), and one H(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one Co(4), and one H(3) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Co(2), one Co(3), one Co(4), and one H(4) atom. In the fifth O site, O(5) is bonded in a 4-coordinate geometry to one Co(2), one Co(3), one Co(4), and one H(1) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one Co(4), and one H(2) atom. In the seventh O site, O(7) is bonded in a distorted tetrahedral geometry to one Co(1), one Co(3), one Co(4), and one H(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Co(1), one Co(2), one Co(3), and one H(4) atom.