MgMn5O7F is Spinel-derived structured and crystallizes in the trigonal R3m space group. Mg(1) is bonded to three equivalent O(1) and one F(1) atom to form MgO3F 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 49-62°. 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 Mg(1)O3F tetrahedra, 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 distorted MnO6 octahedra that share corners with three equivalent Mg(1)O3F tetrahedra, 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 54-64°. There are three inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(2), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mn(2), one Mn(3), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mn(3) and three equivalent Mn(1) atoms. F(1) is bonded in a 4-coordinate geometry to one Mg(1) and three equivalent Mn(1) atoms.
MgMn5O7F is Spinel-derived structured and crystallizes in the trigonal R3m space group. Mg(1) is bonded to three equivalent O(1) and one F(1) atom to form MgO3F 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 49-62°. All Mg(1)-O(1) bond lengths are 2.02 Å. The Mg(1)-F(1) bond length is 1.97 Å. 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 Mg(1)O3F tetrahedra, 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 2.14 Å. Both Mn(1)-O(1) bond lengths are 1.99 Å. Both Mn(1)-O(2) bond lengths are 1.99 Å. The Mn(1)-F(1) bond length is 2.45 Å. In the second Mn site, Mn(2) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MnO6 octahedra that share corners with three equivalent Mg(1)O3F tetrahedra, 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 2.21 Å. All Mn(2)-O(2) bond lengths are 2.21 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 54-64°. The Mn(3)-O(3) bond length is 2.02 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 to one Mg(1), one Mn(2), and two equivalent Mn(1) atoms to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mn(2), one Mn(3), and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Mn(3) and three equivalent Mn(1) atoms. F(1) is bonded in a 4-coordinate geometry to one Mg(1) and three equivalent Mn(1) atoms.