MnOOH crystallizes in the monoclinic P2_1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form edge-sharing MnO6 octahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form edge-sharing MnO6 octahedra. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form edge-sharing MnO6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(4), two equivalent O(6), and two equivalent O(8) atoms to form edge-sharing MnO6 octahedra. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(7) atom. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(6) atom. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Mn(4), and one H(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Mn(3), and one H(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), two equivalent Mn(4), and one H(4) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Mn(2), two equivalent Mn(3), and one H(3) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(4) atoms.
MnOOH crystallizes in the monoclinic P2_1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form edge-sharing MnO6 octahedra. The Mn(1)-O(1) bond length is 1.94 Å. The Mn(1)-O(2) bond length is 2.20 Å. The Mn(1)-O(3) bond length is 2.19 Å. The Mn(1)-O(4) bond length is 1.97 Å. The Mn(1)-O(5) bond length is 2.02 Å. The Mn(1)-O(6) bond length is 2.02 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(7), and one O(8) atom to form edge-sharing MnO6 octahedra. The Mn(2)-O(1) bond length is 1.97 Å. The Mn(2)-O(2) bond length is 2.26 Å. The Mn(2)-O(3) bond length is 2.28 Å. The Mn(2)-O(4) bond length is 1.95 Å. The Mn(2)-O(7) bond length is 2.00 Å. The Mn(2)-O(8) bond length is 2.00 Å. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), two equivalent O(5), and two equivalent O(7) atoms to form edge-sharing MnO6 octahedra. The Mn(3)-O(1) bond length is 2.00 Å. The Mn(3)-O(3) bond length is 2.01 Å. There is one shorter (1.96 Å) and one longer (1.98 Å) Mn(3)-O(5) bond length. There is one shorter (2.25 Å) and one longer (2.34 Å) Mn(3)-O(7) bond length. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(4), two equivalent O(6), and two equivalent O(8) atoms to form edge-sharing MnO6 octahedra. The Mn(4)-O(2) bond length is 1.99 Å. The Mn(4)-O(4) bond length is 1.98 Å. There is one shorter (2.22 Å) and one longer (2.29 Å) Mn(4)-O(6) bond length. There is one shorter (1.96 Å) and one longer (2.00 Å) Mn(4)-O(8) bond length. There are four inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(3) atom. The H(1)-O(3) bond length is 0.98 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(2) atom. The H(2)-O(2) bond length is 0.97 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(7) atom. The H(3)-O(7) bond length is 0.98 Å. In the fourth H site, H(4) is bonded in a single-bond geometry to one O(6) atom. The H(4)-O(6) bond length is 0.98 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Mn(4), and one H(2) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Mn(3), and one H(1) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Mn(1), two equivalent Mn(4), and one H(4) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Mn(2), two equivalent Mn(3), and one H(3) atom. In the eighth O site, O(8) is bonded in a trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(4) atoms.