Mn5O7F is beta indium sulfide-derived structured and crystallizes in the trigonal R3m space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), two equivalent O(1), two equivalent O(2), and one F(1) atom to form MnO5F octahedra that share corners with three equivalent Mn(3)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(1)O5F octahedra. In the second Mn site, Mn(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with three equivalent Mn(3)O4 tetrahedra and edges with six equivalent Mn(1)O5F octahedra. In the third Mn site, Mn(3) is bonded to one O(3) and three equivalent O(2) atoms to form MnO4 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra and corners with nine equivalent Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 53-63°. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to one Mn(2), one Mn(3), and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OMn4 tetrahedra. In the third O site, O(3) is bonded to one Mn(3) and three equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OMn4 trigonal pyramids. F(1) is bonded in a distorted T-shaped geometry to three equivalent Mn(1) atoms.
Mn5O7F is beta indium sulfide-derived structured and crystallizes in the trigonal R3m space group. There are three inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), two equivalent O(1), two equivalent O(2), and one F(1) atom to form MnO5F octahedra that share corners with three equivalent Mn(3)O4 tetrahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Mn(1)O5F octahedra. The Mn(1)-O(3) bond length is 2.10 Å. Both Mn(1)-O(1) bond lengths are 1.97 Å. Both Mn(1)-O(2) bond lengths are 2.03 Å. The Mn(1)-F(1) bond length is 2.21 Å. In the second Mn site, Mn(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form MnO6 octahedra that share corners with three equivalent Mn(3)O4 tetrahedra and edges with six equivalent Mn(1)O5F octahedra. All Mn(2)-O(1) bond lengths are 1.94 Å. All Mn(2)-O(2) bond lengths are 2.03 Å. In the third Mn site, Mn(3) is bonded to one O(3) and three equivalent O(2) atoms to form MnO4 tetrahedra that share corners with three equivalent Mn(2)O6 octahedra and corners with nine equivalent Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 53-63°. The Mn(3)-O(3) bond length is 1.97 Å. All Mn(3)-O(2) bond lengths are 2.09 Å. There are three inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to one Mn(2), one Mn(3), and two equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OMn4 tetrahedra. In the third O site, O(3) is bonded to one Mn(3) and three equivalent Mn(1) atoms to form a mixture of distorted edge and corner-sharing OMn4 trigonal pyramids. F(1) is bonded in a distorted T-shaped geometry to three equivalent Mn(1) atoms.