Mn5H4(SO5)3 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(5), one O(7), one O(9), and two equivalent O(2) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 65°. In the second Mn site, Mn(2) is bonded to one O(1), one O(6), one O(7), one O(8), and two equivalent O(3) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(3)O5 trigonal bipyramids, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 65°. In the third Mn site, Mn(3) is bonded to one O(4), one O(8), one O(9), and two equivalent O(7) atoms to form a mixture of edge and corner-sharing MnO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 59°. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(7) atom. In the second H site, H(2) is bonded in a single-bond geometry to one O(8) atom. In the third H site, H(3) is bonded in a single-bond geometry to one O(9) atom. There are three inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one O(1) and two equivalent O(2) atoms. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one O(4) and two equivalent O(3) atoms. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one O(5) and two equivalent O(6) atoms. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(2) and one S(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Mn(2) and one S(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mn(3) and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one S(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(2) and one S(3) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Mn(1), one Mn(2), one Mn(3), and one H(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Mn(3), two equivalent Mn(2), and one H(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Mn(3), two equivalent Mn(1), and one H(3) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Mn(1) atom.
Mn5H4(SO5)3 crystallizes in the monoclinic P2_1/m space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(5), one O(7), one O(9), and two equivalent O(2) atoms to form distorted MnO6 octahedra that share  a cornercorner with one Mn(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 65°. The Mn(1)-O(10) bond length is 1.73 Å. The Mn(1)-O(5) bond length is 2.18 Å. The Mn(1)-O(7) bond length is 2.13 Å. The Mn(1)-O(9) bond length is 2.14 Å. There is one shorter (2.12 Å) and one longer (2.24 Å) Mn(1)-O(2) bond length. In the second Mn site, Mn(2) is bonded to one O(1), one O(6), one O(7), one O(8), and two equivalent O(3) atoms to form MnO6 octahedra that share  a cornercorner with one Mn(1)O6 octahedra, corners with two equivalent Mn(3)O5 trigonal bipyramids, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles are 65°. The Mn(2)-O(1) bond length is 2.21 Å. The Mn(2)-O(6) bond length is 2.09 Å. The Mn(2)-O(7) bond length is 2.17 Å. The Mn(2)-O(8) bond length is 2.21 Å. There is one shorter (2.15 Å) and one longer (2.29 Å) Mn(2)-O(3) bond length. In the third Mn site, Mn(3) is bonded to one O(4), one O(8), one O(9), and two equivalent O(7) atoms to form a mixture of edge and corner-sharing MnO5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 59°. The Mn(3)-O(4) bond length is 2.17 Å. The Mn(3)-O(8) bond length is 2.14 Å. The Mn(3)-O(9) bond length is 2.20 Å. Both Mn(3)-O(7) bond lengths are 2.16 Å. There are three inequivalent H sites. In the first H site, H(1) is bonded in a single-bond geometry to one O(7) atom. The H(1)-O(7) bond length is 0.99 Å. In the second H site, H(2) is bonded in a single-bond geometry to one O(8) atom. The H(2)-O(8) bond length is 0.98 Å. In the third H site, H(3) is bonded in a single-bond geometry to one O(9) atom. The H(3)-O(9) bond length is 0.98 Å. There are three inequivalent S sites. In the first S site, S(1) is bonded in a trigonal non-coplanar geometry to one O(1) and two equivalent O(2) atoms. The S(1)-O(1) bond length is 1.55 Å. Both S(1)-O(2) bond lengths are 1.56 Å. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one O(4) and two equivalent O(3) atoms. The S(2)-O(4) bond length is 1.55 Å. Both S(2)-O(3) bond lengths are 1.56 Å. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one O(5) and two equivalent O(6) atoms. The S(3)-O(5) bond length is 1.59 Å. Both S(3)-O(6) bond lengths are 1.52 Å. There are ten inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(2) and one S(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one S(1) atom. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to two equivalent Mn(2) and one S(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Mn(3) and one S(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one S(3) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(2) and one S(3) atom. In the seventh O site, O(7) is bonded in a distorted single-bond geometry to one Mn(1), one Mn(2), one Mn(3), and one H(1) atom. In the eighth O site, O(8) is bonded in a distorted single-bond geometry to one Mn(3), two equivalent Mn(2), and one H(2) atom. In the ninth O site, O(9) is bonded in a distorted single-bond geometry to one Mn(3), two equivalent Mn(1), and one H(3) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Mn(1) atom.