Mn6HO12 crystallizes in the monoclinic Cc space group. There are six 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(6), and one O(7) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(8) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. In the third Mn site, Mn(3) is bonded to one O(11), one O(12), one O(3), one O(7), one O(8), and one O(9) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(11), one O(12), one O(4), one O(7), and one O(8) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(10), one O(11), one O(5), one O(6), and one O(9) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(12), one O(2), one O(5), one O(6), and one O(9) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. H(1) is bonded in a single-bond geometry to one O(9) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar 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 planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(5), and one Mn(6) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Mn(3), one Mn(5), one Mn(6), and one H(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4), one Mn(5), and one Mn(6) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3), one Mn(4), and one Mn(6) atom.
Mn6HO12 crystallizes in the monoclinic Cc space group. There are six 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(6), and one O(7) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. The Mn(1)-O(1) bond length is 1.90 Å. The Mn(1)-O(2) bond length is 1.90 Å. The Mn(1)-O(3) bond length is 1.90 Å. The Mn(1)-O(4) bond length is 1.90 Å. The Mn(1)-O(6) bond length is 1.95 Å. The Mn(1)-O(7) bond length is 1.93 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(5), and one O(8) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. The Mn(2)-O(1) bond length is 1.88 Å. The Mn(2)-O(2) bond length is 1.89 Å. The Mn(2)-O(3) bond length is 1.90 Å. The Mn(2)-O(4) bond length is 1.89 Å. The Mn(2)-O(5) bond length is 1.95 Å. The Mn(2)-O(8) bond length is 1.94 Å. In the third Mn site, Mn(3) is bonded to one O(11), one O(12), one O(3), one O(7), one O(8), and one O(9) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. The Mn(3)-O(11) bond length is 1.94 Å. The Mn(3)-O(12) bond length is 1.94 Å. The Mn(3)-O(3) bond length is 1.84 Å. The Mn(3)-O(7) bond length is 1.87 Å. The Mn(3)-O(8) bond length is 1.89 Å. The Mn(3)-O(9) bond length is 2.00 Å. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(11), one O(12), one O(4), one O(7), and one O(8) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-51°. The Mn(4)-O(10) bond length is 1.91 Å. The Mn(4)-O(11) bond length is 1.92 Å. The Mn(4)-O(12) bond length is 1.92 Å. The Mn(4)-O(4) bond length is 1.91 Å. The Mn(4)-O(7) bond length is 1.88 Å. The Mn(4)-O(8) bond length is 1.89 Å. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(10), one O(11), one O(5), one O(6), and one O(9) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-51°. The Mn(5)-O(1) bond length is 1.88 Å. The Mn(5)-O(10) bond length is 1.91 Å. The Mn(5)-O(11) bond length is 1.92 Å. The Mn(5)-O(5) bond length is 1.89 Å. The Mn(5)-O(6) bond length is 1.86 Å. The Mn(5)-O(9) bond length is 2.00 Å. In the sixth Mn site, Mn(6) is bonded to one O(10), one O(12), one O(2), one O(5), one O(6), and one O(9) atom to form a mixture of edge and corner-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 49-52°. The Mn(6)-O(10) bond length is 1.91 Å. The Mn(6)-O(12) bond length is 1.92 Å. The Mn(6)-O(2) bond length is 1.88 Å. The Mn(6)-O(5) bond length is 1.89 Å. The Mn(6)-O(6) bond length is 1.86 Å. The Mn(6)-O(9) bond length is 2.00 Å. H(1) is bonded in a single-bond geometry to one O(9) atom. The H(1)-O(9) bond length is 0.98 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(6) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar 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 planar geometry to one Mn(2), one Mn(5), and one Mn(6) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(5), and one Mn(6) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(4) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Mn(3), one Mn(5), one Mn(6), and one H(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4), one Mn(5), and one Mn(6) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Mn(3), one Mn(4), and one Mn(6) atom.