Mn2O4H 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 corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. 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 corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. 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 distorted corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. 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 distorted corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. 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 corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. 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 corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(9) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(10) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(11) atom. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 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 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 3-coordinate 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 3-coordinate 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 single-bond geometry to one Mn(4), one Mn(5), one Mn(6), and one H(2) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Mn(3), one Mn(4), one Mn(5), and one H(3) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one Mn(3), one Mn(4), and one Mn(6) atom.
Mn2O4H 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 corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-56°. The Mn(1)-O(1) bond length is 1.94 Å. The Mn(1)-O(2) bond length is 1.96 Å. The Mn(1)-O(3) bond length is 1.97 Å. The Mn(1)-O(4) bond length is 1.93 Å. The Mn(1)-O(6) bond length is 2.01 Å. The Mn(1)-O(7) bond length is 1.98 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 corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. The Mn(2)-O(1) bond length is 1.95 Å. The Mn(2)-O(2) bond length is 1.97 Å. The Mn(2)-O(3) bond length is 1.99 Å. The Mn(2)-O(4) bond length is 1.94 Å. The Mn(2)-O(5) 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(11), one O(12), one O(3), one O(7), one O(8), and one O(9) atom to form a mixture of distorted corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 50-55°. The Mn(3)-O(11) bond length is 2.05 Å. The Mn(3)-O(12) bond length is 1.99 Å. The Mn(3)-O(3) bond length is 1.94 Å. The Mn(3)-O(7) bond length is 1.93 Å. The Mn(3)-O(8) bond length is 1.95 Å. The Mn(3)-O(9) bond length is 2.14 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 distorted corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. The Mn(4)-O(10) bond length is 2.22 Å. The Mn(4)-O(11) bond length is 2.09 Å. The Mn(4)-O(12) bond length is 1.98 Å. The Mn(4)-O(4) bond length is 2.00 Å. The Mn(4)-O(7) bond length is 1.94 Å. The Mn(4)-O(8) bond length is 1.97 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 corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 51-57°. The Mn(5)-O(1) bond length is 1.97 Å. The Mn(5)-O(10) bond length is 2.02 Å. The Mn(5)-O(11) bond length is 2.18 Å. The Mn(5)-O(5) bond length is 1.93 Å. The Mn(5)-O(6) bond length is 1.93 Å. The Mn(5)-O(9) bond length is 2.05 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 corner and edge-sharing MnO6 octahedra. The corner-sharing octahedral tilt angles range from 52-55°. The Mn(6)-O(10) bond length is 2.04 Å. The Mn(6)-O(12) bond length is 1.99 Å. The Mn(6)-O(2) bond length is 1.93 Å. The Mn(6)-O(5) bond length is 2.02 Å. The Mn(6)-O(6) bond length is 2.05 Å. The Mn(6)-O(9) bond length is 2.10 Å. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(9) atom. The H(1)-O(9) bond length is 1.00 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(10) atom. The H(2)-O(10) bond length is 1.00 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(11) atom. The H(3)-O(11) bond length is 1.00 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 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 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 3-coordinate 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 3-coordinate 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 single-bond geometry to one Mn(4), one Mn(5), one Mn(6), and one H(2) atom. In the eleventh O site, O(11) is bonded in a distorted single-bond geometry to one Mn(3), one Mn(4), one Mn(5), and one H(3) atom. In the twelfth O site, O(12) is bonded in a trigonal non-coplanar geometry to one Mn(3), one Mn(4), and one Mn(6) atom.