Mn5(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(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O5 trigonal bipyramids and edges with two equivalent Mn(1)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(10), one O(2), one O(3), and two equivalent O(6) atoms to form corner-sharing MnO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 51-59°. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(6), one O(8), and two equivalent O(9) atoms. 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(5) atoms. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(7) atoms. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one O(4) and two equivalent O(9) atoms. There are ten inequivalent O sites. In the first O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one S(2) atom. In the second O site, O(8) is bonded in a single-bond geometry to one Mn(3) atom. In the third O site, O(9) is bonded in a distorted trigonal planar geometry to two equivalent Mn(3) and one S(3) atom. In the fourth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(3) atoms. In the fifth O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(3) and one S(1) atom. In the sixth O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(2) and one S(2) atom. In the seventh O site, O(3) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the eighth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one S(3) atom. In the ninth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(1) and one S(1) atom. In the tenth O site, O(6) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom.
Mn5(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(3), one O(4), one O(5), one O(6), and two equivalent O(7) atoms to form MnO6 octahedra that share corners with two equivalent Mn(2)O5 trigonal bipyramids and edges with two equivalent Mn(1)O6 octahedra. The Mn(1)-O(3) bond length is 2.02 Å. The Mn(1)-O(4) bond length is 2.18 Å. The Mn(1)-O(5) bond length is 2.01 Å. The Mn(1)-O(6) bond length is 1.98 Å. There is one shorter (2.14 Å) and one longer (2.18 Å) Mn(1)-O(7) bond length. In the second Mn site, Mn(2) is bonded to one O(10), one O(2), one O(3), and two equivalent O(6) atoms to form corner-sharing MnO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 51-59°. The Mn(2)-O(10) bond length is 1.98 Å. The Mn(2)-O(2) bond length is 1.98 Å. The Mn(2)-O(3) bond length is 1.93 Å. Both Mn(2)-O(6) bond lengths are 2.05 Å. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(6), one O(8), and two equivalent O(9) atoms. The Mn(3)-O(1) bond length is 2.17 Å. The Mn(3)-O(10) bond length is 2.00 Å. The Mn(3)-O(6) bond length is 1.89 Å. The Mn(3)-O(8) bond length is 1.69 Å. There is one shorter (2.07 Å) and one longer (2.33 Å) Mn(3)-O(9) bond length. 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(5) atoms. The S(1)-O(1) bond length is 1.58 Å. Both S(1)-O(5) bond lengths are 1.52 Å. In the second S site, S(2) is bonded in a trigonal non-coplanar geometry to one O(2) and two equivalent O(7) atoms. The S(2)-O(2) bond length is 1.52 Å. Both S(2)-O(7) bond lengths are 1.56 Å. In the third S site, S(3) is bonded in a trigonal non-coplanar geometry to one O(4) and two equivalent O(9) atoms. The S(3)-O(4) bond length is 1.53 Å. Both S(3)-O(9) bond lengths are 1.56 Å. There are ten inequivalent O sites. In the first O site, O(7) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one S(2) atom. In the second O site, O(8) is bonded in a single-bond geometry to one Mn(3) atom. In the third O site, O(9) is bonded in a distorted trigonal planar geometry to two equivalent Mn(3) and one S(3) atom. In the fourth O site, O(10) is bonded in a trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(3) atoms. In the fifth O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(3) and one S(1) atom. In the sixth O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(2) and one S(2) atom. In the seventh O site, O(3) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the eighth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one S(3) atom. In the ninth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(1) and one S(1) atom. In the tenth O site, O(6) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom.