Mn3OF5 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one F(1), one F(2), one F(3), and two equivalent F(5) atoms to form a mixture of corner and edge-sharing MnOF5 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. In the second Mn site, Mn(2) is bonded to one O(1), one F(3), two equivalent F(1), and two equivalent F(4) atoms to form a mixture of corner and edge-sharing MnOF5 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. In the third Mn site, Mn(3) is bonded to one O(1), one F(3), one F(4), one F(5), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing MnOF5 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mn(3) and two equivalent Mn(2) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(1) atoms.
Mn3OF5 is Hydrophilite-derived structured and crystallizes in the monoclinic P2_1 space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one F(1), one F(2), one F(3), and two equivalent F(5) atoms to form a mixture of corner and edge-sharing MnOF5 octahedra. The corner-sharing octahedral tilt angles range from 47-57°. The Mn(1)-O(1) bond length is 1.98 Å. The Mn(1)-F(1) bond length is 2.19 Å. The Mn(1)-F(2) bond length is 2.12 Å. The Mn(1)-F(3) bond length is 2.16 Å. Both Mn(1)-F(5) bond lengths are 2.15 Å. In the second Mn site, Mn(2) is bonded to one O(1), one F(3), two equivalent F(1), and two equivalent F(4) atoms to form a mixture of corner and edge-sharing MnOF5 octahedra. The corner-sharing octahedral tilt angles range from 46-51°. The Mn(2)-O(1) bond length is 1.89 Å. The Mn(2)-F(3) bond length is 2.09 Å. There is one shorter (2.04 Å) and one longer (2.16 Å) Mn(2)-F(1) bond length. There is one shorter (2.04 Å) and one longer (2.16 Å) Mn(2)-F(4) bond length. In the third Mn site, Mn(3) is bonded to one O(1), one F(3), one F(4), one F(5), and two equivalent F(2) atoms to form a mixture of corner and edge-sharing MnOF5 octahedra. The corner-sharing octahedral tilt angles range from 46-57°. The Mn(3)-O(1) bond length is 2.08 Å. The Mn(3)-F(3) bond length is 2.16 Å. The Mn(3)-F(4) bond length is 2.16 Å. The Mn(3)-F(5) bond length is 2.27 Å. There is one shorter (2.11 Å) and one longer (2.16 Å) Mn(3)-F(2) bond length. O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the third F site, F(3) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth F site, F(4) is bonded in a distorted T-shaped geometry to one Mn(3) and two equivalent Mn(2) atoms. In the fifth F site, F(5) is bonded in a distorted trigonal planar geometry to one Mn(3) and two equivalent Mn(1) atoms.