MnOOH crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 55°. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 55°. There are two 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(4) atom. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Mn(1), two equivalent Mn(2), and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Mn(2), two equivalent Mn(1), and one H(2) atom.
MnOOH crystallizes in the orthorhombic Pmc2_1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), two equivalent O(2), and two equivalent O(4) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 55°. The Mn(1)-O(1) bond length is 2.03 Å. The Mn(1)-O(3) bond length is 2.22 Å. Both Mn(1)-O(2) bond lengths are 1.97 Å. Both Mn(1)-O(4) bond lengths are 2.10 Å. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles are 55°. The Mn(2)-O(2) bond length is 1.98 Å. The Mn(2)-O(4) bond length is 2.15 Å. Both Mn(2)-O(1) bond lengths are 1.96 Å. Both Mn(2)-O(3) bond lengths are 2.09 Å. There are two 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 1.00 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(4) atom. The H(2)-O(4) bond length is 0.99 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a distorted single-bond geometry to one Mn(1), two equivalent Mn(2), and one H(1) atom. In the fourth O site, O(4) is bonded in a distorted single-bond geometry to one Mn(2), two equivalent Mn(1), and one H(2) atom.