Mn5O3F5 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. There are ten inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(5), one F(5), one F(7), and one F(9) atom to form MnO3F3 octahedra that share  a cornercorner with one Mn(3)O3F tetrahedra, corners with two equivalent Mn(6)O3F tetrahedra,  an edgeedge with one Mn(7)O2F4 octahedra,  an edgeedge with one Mn(8)O2F4 octahedra, edges with two equivalent Mn(10)O2F4 octahedra, and edges with two equivalent Mn(9)O2F4 octahedra. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), one O(6), one F(10), one F(6), and one F(8) atom to form MnO3F3 octahedra that share  a cornercorner with one Mn(6)O3F tetrahedra, corners with two equivalent Mn(3)O3F tetrahedra,  an edgeedge with one Mn(7)O2F4 octahedra,  an edgeedge with one Mn(8)O2F4 octahedra, edges with two equivalent Mn(4)O2F4 octahedra, and edges with two equivalent Mn(5)O2F4 octahedra. In the third Mn site, Mn(3) is bonded to one O(2), one O(3), one O(6), and one F(2) atom to form MnO3F tetrahedra that share  a cornercorner with one Mn(10)O2F4 octahedra,  a cornercorner with one Mn(9)O2F4 octahedra,  a cornercorner with one Mn(1)O3F3 octahedra, corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(5)O2F4 octahedra, corners with two equivalent Mn(2)O3F3 octahedra, and corners with three equivalent Mn(7)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-65°. In the fourth Mn site, Mn(4) is bonded to one O(4), one O(6), one F(2), one F(4), one F(6), and one F(8) atom to form MnO2F4 octahedra that share  a cornercorner with one Mn(6)O3F tetrahedra, corners with two equivalent Mn(3)O3F tetrahedra,  an edgeedge with one Mn(7)O2F4 octahedra,  an edgeedge with one Mn(8)O2F4 octahedra, edges with two equivalent Mn(5)O2F4 octahedra, and edges with two equivalent Mn(2)O3F3 octahedra. In the fifth Mn site, Mn(5) is bonded to one O(2), one O(4), one F(10), one F(2), one F(4), and one F(8) atom to form MnO2F4 octahedra that share  a cornercorner with one Mn(6)O3F tetrahedra, corners with two equivalent Mn(3)O3F tetrahedra,  an edgeedge with one Mn(7)O2F4 octahedra,  an edgeedge with one Mn(8)O2F4 octahedra, edges with two equivalent Mn(4)O2F4 octahedra, and edges with two equivalent Mn(2)O3F3 octahedra. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(4), one O(5), and one F(1) atom to form MnO3F tetrahedra that share  a cornercorner with one Mn(4)O2F4 octahedra,  a cornercorner with one Mn(5)O2F4 octahedra,  a cornercorner with one Mn(2)O3F3 octahedra, corners with two equivalent Mn(10)O2F4 octahedra, corners with two equivalent Mn(9)O2F4 octahedra, corners with two equivalent Mn(1)O3F3 octahedra, and corners with three equivalent Mn(8)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-65°. In the seventh Mn site, Mn(7) is bonded to one O(2), one O(6), one F(2), one F(3), one F(5), and one F(9) atom to form MnO2F4 octahedra that share corners with three equivalent Mn(3)O3F tetrahedra,  an edgeedge with one Mn(10)O2F4 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra,  an edgeedge with one Mn(5)O2F4 octahedra,  an edgeedge with one Mn(9)O2F4 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra, and  an edgeedge with one Mn(2)O3F3 octahedra. In the eighth Mn site, Mn(8) is bonded to one O(1), one O(5), one F(1), one F(10), one F(4), and one F(6) atom to form MnO2F4 octahedra that share corners with three equivalent Mn(6)O3F tetrahedra,  an edgeedge with one Mn(10)O2F4 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra,  an edgeedge with one Mn(5)O2F4 octahedra,  an edgeedge with one Mn(9)O2F4 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra, and  an edgeedge with one Mn(2)O3F3 octahedra. In the ninth Mn site, Mn(9) is bonded to one O(3), one O(5), one F(1), one F(3), one F(5), and one F(7) atom to form MnO2F4 octahedra that share  a cornercorner with one Mn(3)O3F tetrahedra, corners with two equivalent Mn(6)O3F tetrahedra,  an edgeedge with one Mn(7)O2F4 octahedra,  an edgeedge with one Mn(8)O2F4 octahedra, edges with two equivalent Mn(10)O2F4 octahedra, and edges with two equivalent Mn(1)O3F3 octahedra. In the tenth Mn site, Mn(10) is bonded to one O(1), one O(3), one F(1), one F(3), one F(7), and one F(9) atom to form MnO2F4 octahedra that share  a cornercorner with one Mn(3)O3F tetrahedra, corners with two equivalent Mn(6)O3F tetrahedra,  an edgeedge with one Mn(7)O2F4 octahedra,  an edgeedge with one Mn(8)O2F4 octahedra, edges with two equivalent Mn(9)O2F4 octahedra, and edges with two equivalent Mn(1)O3F3 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal pyramidal geometry to one Mn(1), one Mn(10), one Mn(6), and one Mn(8) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mn(2), one Mn(3), one Mn(5), and one Mn(7) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(10), one Mn(3), and one Mn(9) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mn(2), one Mn(4), one Mn(5), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(6), one Mn(8), and one Mn(9) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mn(2), one Mn(3), one Mn(4), and one Mn(7) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Mn(10), one Mn(6), one Mn(8), and one Mn(9) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Mn(3), one Mn(4), one Mn(5), and one Mn(7) atom. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Mn(10), one Mn(7), and one Mn(9) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4), one Mn(5), and one Mn(8) atom. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(7), and one Mn(9) atom. In the sixth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one Mn(4), and one Mn(8) atom. In the seventh F site, F(7) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(10), and one Mn(9) atom. In the eighth F site, F(8) is bonded in a trigonal non-coplanar geometry to one Mn(2), one Mn(4), and one Mn(5) atom. In the ninth F site, F(9) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(10), and one Mn(7) atom. In the tenth F site, F(10) is bonded in a trigonal non-coplanar geometry to one Mn(2), one Mn(5), and one Mn(8) atom.
Mn5O3F5 is beta indium sulfide-derived structured and crystallizes in the triclinic P1 space group. There are ten inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(3), one O(5), one F(5), one F(7), and one F(9) atom to form MnO3F3 octahedra that share  a cornercorner with one Mn(3)O3F tetrahedra, corners with two equivalent Mn(6)O3F tetrahedra,  an edgeedge with one Mn(7)O2F4 octahedra,  an edgeedge with one Mn(8)O2F4 octahedra, edges with two equivalent Mn(10)O2F4 octahedra, and edges with two equivalent Mn(9)O2F4 octahedra. The Mn(1)-O(1) bond length is 2.22 Å. The Mn(1)-O(3) bond length is 2.13 Å. The Mn(1)-O(5) bond length is 2.22 Å. The Mn(1)-F(5) bond length is 2.17 Å. The Mn(1)-F(7) bond length is 2.21 Å. The Mn(1)-F(9) bond length is 2.18 Å. In the second Mn site, Mn(2) is bonded to one O(2), one O(4), one O(6), one F(10), one F(6), and one F(8) atom to form MnO3F3 octahedra that share  a cornercorner with one Mn(6)O3F tetrahedra, corners with two equivalent Mn(3)O3F tetrahedra,  an edgeedge with one Mn(7)O2F4 octahedra,  an edgeedge with one Mn(8)O2F4 octahedra, edges with two equivalent Mn(4)O2F4 octahedra, and edges with two equivalent Mn(5)O2F4 octahedra. The Mn(2)-O(2) bond length is 2.10 Å. The Mn(2)-O(4) bond length is 2.20 Å. The Mn(2)-O(6) bond length is 2.19 Å. The Mn(2)-F(10) bond length is 2.23 Å. The Mn(2)-F(6) bond length is 2.30 Å. The Mn(2)-F(8) bond length is 2.20 Å. In the third Mn site, Mn(3) is bonded to one O(2), one O(3), one O(6), and one F(2) atom to form MnO3F tetrahedra that share  a cornercorner with one Mn(10)O2F4 octahedra,  a cornercorner with one Mn(9)O2F4 octahedra,  a cornercorner with one Mn(1)O3F3 octahedra, corners with two equivalent Mn(4)O2F4 octahedra, corners with two equivalent Mn(5)O2F4 octahedra, corners with two equivalent Mn(2)O3F3 octahedra, and corners with three equivalent Mn(7)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 48-65°. The Mn(3)-O(2) bond length is 2.04 Å. The Mn(3)-O(3) bond length is 2.03 Å. The Mn(3)-O(6) bond length is 2.10 Å. The Mn(3)-F(2) bond length is 2.23 Å. In the fourth Mn site, Mn(4) is bonded to one O(4), one O(6), one F(2), one F(4), one F(6), and one F(8) atom to form MnO2F4 octahedra that share  a cornercorner with one Mn(6)O3F tetrahedra, corners with two equivalent Mn(3)O3F tetrahedra,  an edgeedge with one Mn(7)O2F4 octahedra,  an edgeedge with one Mn(8)O2F4 octahedra, edges with two equivalent Mn(5)O2F4 octahedra, and edges with two equivalent Mn(2)O3F3 octahedra. The Mn(4)-O(4) bond length is 1.91 Å. The Mn(4)-O(6) bond length is 1.91 Å. The Mn(4)-F(2) bond length is 2.38 Å. The Mn(4)-F(4) bond length is 2.16 Å. The Mn(4)-F(6) bond length is 2.06 Å. The Mn(4)-F(8) bond length is 2.01 Å. In the fifth Mn site, Mn(5) is bonded to one O(2), one O(4), one F(10), one F(2), one F(4), and one F(8) atom to form MnO2F4 octahedra that share  a cornercorner with one Mn(6)O3F tetrahedra, corners with two equivalent Mn(3)O3F tetrahedra,  an edgeedge with one Mn(7)O2F4 octahedra,  an edgeedge with one Mn(8)O2F4 octahedra, edges with two equivalent Mn(4)O2F4 octahedra, and edges with two equivalent Mn(2)O3F3 octahedra. The Mn(5)-O(2) bond length is 2.07 Å. The Mn(5)-O(4) bond length is 2.14 Å. The Mn(5)-F(10) bond length is 2.21 Å. The Mn(5)-F(2) bond length is 2.25 Å. The Mn(5)-F(4) bond length is 2.16 Å. The Mn(5)-F(8) bond length is 2.22 Å. In the sixth Mn site, Mn(6) is bonded to one O(1), one O(4), one O(5), and one F(1) atom to form MnO3F tetrahedra that share  a cornercorner with one Mn(4)O2F4 octahedra,  a cornercorner with one Mn(5)O2F4 octahedra,  a cornercorner with one Mn(2)O3F3 octahedra, corners with two equivalent Mn(10)O2F4 octahedra, corners with two equivalent Mn(9)O2F4 octahedra, corners with two equivalent Mn(1)O3F3 octahedra, and corners with three equivalent Mn(8)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 49-65°. The Mn(6)-O(1) bond length is 2.09 Å. The Mn(6)-O(4) bond length is 2.09 Å. The Mn(6)-O(5) bond length is 2.09 Å. The Mn(6)-F(1) bond length is 2.20 Å. In the seventh Mn site, Mn(7) is bonded to one O(2), one O(6), one F(2), one F(3), one F(5), and one F(9) atom to form MnO2F4 octahedra that share corners with three equivalent Mn(3)O3F tetrahedra,  an edgeedge with one Mn(10)O2F4 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra,  an edgeedge with one Mn(5)O2F4 octahedra,  an edgeedge with one Mn(9)O2F4 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra, and  an edgeedge with one Mn(2)O3F3 octahedra. The Mn(7)-O(2) bond length is 2.08 Å. The Mn(7)-O(6) bond length is 2.19 Å. The Mn(7)-F(2) bond length is 2.36 Å. The Mn(7)-F(3) bond length is 2.17 Å. The Mn(7)-F(5) bond length is 2.18 Å. The Mn(7)-F(9) bond length is 2.15 Å. In the eighth Mn site, Mn(8) is bonded to one O(1), one O(5), one F(1), one F(10), one F(4), and one F(6) atom to form MnO2F4 octahedra that share corners with three equivalent Mn(6)O3F tetrahedra,  an edgeedge with one Mn(10)O2F4 octahedra,  an edgeedge with one Mn(4)O2F4 octahedra,  an edgeedge with one Mn(5)O2F4 octahedra,  an edgeedge with one Mn(9)O2F4 octahedra,  an edgeedge with one Mn(1)O3F3 octahedra, and  an edgeedge with one Mn(2)O3F3 octahedra. The Mn(8)-O(1) bond length is 1.92 Å. The Mn(8)-O(5) bond length is 1.94 Å. The Mn(8)-F(1) bond length is 2.37 Å. The Mn(8)-F(10) bond length is 2.02 Å. The Mn(8)-F(4) bond length is 2.14 Å. The Mn(8)-F(6) bond length is 2.09 Å. In the ninth Mn site, Mn(9) is bonded to one O(3), one O(5), one F(1), one F(3), one F(5), and one F(7) atom to form MnO2F4 octahedra that share  a cornercorner with one Mn(3)O3F tetrahedra, corners with two equivalent Mn(6)O3F tetrahedra,  an edgeedge with one Mn(7)O2F4 octahedra,  an edgeedge with one Mn(8)O2F4 octahedra, edges with two equivalent Mn(10)O2F4 octahedra, and edges with two equivalent Mn(1)O3F3 octahedra. The Mn(9)-O(3) bond length is 2.08 Å. The Mn(9)-O(5) bond length is 2.16 Å. The Mn(9)-F(1) bond length is 2.38 Å. The Mn(9)-F(3) bond length is 2.17 Å. The Mn(9)-F(5) bond length is 2.15 Å. The Mn(9)-F(7) bond length is 2.15 Å. In the tenth Mn site, Mn(10) is bonded to one O(1), one O(3), one F(1), one F(3), one F(7), and one F(9) atom to form MnO2F4 octahedra that share  a cornercorner with one Mn(3)O3F tetrahedra, corners with two equivalent Mn(6)O3F tetrahedra,  an edgeedge with one Mn(7)O2F4 octahedra,  an edgeedge with one Mn(8)O2F4 octahedra, edges with two equivalent Mn(9)O2F4 octahedra, and edges with two equivalent Mn(1)O3F3 octahedra. The Mn(10)-O(1) bond length is 2.16 Å. The Mn(10)-O(3) bond length is 2.08 Å. The Mn(10)-F(1) bond length is 2.33 Å. The Mn(10)-F(3) bond length is 2.15 Å. The Mn(10)-F(7) bond length is 2.16 Å. The Mn(10)-F(9) bond length is 2.16 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal pyramidal geometry to one Mn(1), one Mn(10), one Mn(6), and one Mn(8) atom. In the second O site, O(2) is bonded in a rectangular see-saw-like geometry to one Mn(2), one Mn(3), one Mn(5), and one Mn(7) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(10), one Mn(3), and one Mn(9) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mn(2), one Mn(4), one Mn(5), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mn(1), one Mn(6), one Mn(8), and one Mn(9) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Mn(2), one Mn(3), one Mn(4), and one Mn(7) atom. There are ten inequivalent F sites. In the first F site, F(1) is bonded in a rectangular see-saw-like geometry to one Mn(10), one Mn(6), one Mn(8), and one Mn(9) atom. In the second F site, F(2) is bonded in a rectangular see-saw-like geometry to one Mn(3), one Mn(4), one Mn(5), and one Mn(7) atom. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Mn(10), one Mn(7), and one Mn(9) atom. In the fourth F site, F(4) is bonded in a distorted trigonal non-coplanar geometry to one Mn(4), one Mn(5), and one Mn(8) atom. In the fifth F site, F(5) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(7), and one Mn(9) atom. In the sixth F site, F(6) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one Mn(4), and one Mn(8) atom. In the seventh F site, F(7) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(10), and one Mn(9) atom. In the eighth F site, F(8) is bonded in a trigonal non-coplanar geometry to one Mn(2), one Mn(4), and one Mn(5) atom. In the ninth F site, F(9) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(10), and one Mn(7) atom. In the tenth F site, F(10) is bonded in a trigonal non-coplanar geometry to one Mn(2), one Mn(5), and one Mn(8) atom.