MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(8), two equivalent F(2), and two equivalent F(3) atoms to form MgO2F4 octahedra that share  a cornercorner with one Mn(4)O4 tetrahedra,  a cornercorner with one Mn(5)O4 tetrahedra, edges with two equivalent Mg(1)O2F4 octahedra, and edges with four equivalent Mn(2)O4F2 octahedra. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(6), two equivalent O(7), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with four equivalent Mn(6)O4F2 octahedra, corners with four equivalent Mn(4)O4 tetrahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(8), one F(2), and one F(3) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(4)O4 tetrahedra, corners with two equivalent Mn(5)O4 tetrahedra, edges with two equivalent Mn(2)O4F2 octahedra, and edges with four equivalent Mg(1)O2F4 octahedra. In the third Mn site, Mn(3) is bonded to one O(4), one O(5), two equivalent O(2), and two equivalent F(4) atoms to form MnO4F2 octahedra that share corners with four equivalent Mn(6)O4F2 octahedra, corners with four equivalent Mn(5)O4 tetrahedra, and edges with two equivalent Mn(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(7), and two equivalent O(3) atoms to form MnO4 tetrahedra that share  a cornercorner with one Mg(1)O2F4 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(1)O4F2 octahedra, and corners with two equivalent Mn(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-61°. In the fifth Mn site, Mn(5) is bonded to one O(2), one O(8), and two equivalent O(5) atoms to form MnO4 tetrahedra that share  a cornercorner with one Mg(1)O2F4 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(3)O4F2 octahedra, and corners with two equivalent Mn(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-60°. In the sixth Mn site, Mn(6) is bonded to two equivalent O(4), two equivalent O(6), one F(1), and one F(4) atom to form a mixture of corner and edge-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(4), and two equivalent Mn(2) 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 trigonal planar geometry to one Mn(5) and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(4) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(6) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(5) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(6) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(1) atoms. In the eighth O site, O(8) is bonded to one Mg(1), one Mn(5), and two equivalent Mn(2) atoms to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mn(6) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to two equivalent Mg(1) and one Mn(2) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to two equivalent Mg(1) and one Mn(2) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Mn(6) and two equivalent Mn(3) atoms.
MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(8), two equivalent F(2), and two equivalent F(3) atoms to form MgO2F4 octahedra that share  a cornercorner with one Mn(4)O4 tetrahedra,  a cornercorner with one Mn(5)O4 tetrahedra, edges with two equivalent Mg(1)O2F4 octahedra, and edges with four equivalent Mn(2)O4F2 octahedra. The Mg(1)-O(1) bond length is 2.07 Å. The Mg(1)-O(8) bond length is 2.07 Å. Both Mg(1)-F(2) bond lengths are 2.00 Å. Both Mg(1)-F(3) bond lengths are 2.00 Å. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(6), two equivalent O(7), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with four equivalent Mn(6)O4F2 octahedra, corners with four equivalent Mn(4)O4 tetrahedra, and edges with two equivalent Mn(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. The Mn(1)-O(3) bond length is 1.95 Å. The Mn(1)-O(6) bond length is 1.93 Å. There is one shorter (1.96 Å) and one longer (1.98 Å) Mn(1)-O(7) bond length. There is one shorter (2.07 Å) and one longer (2.10 Å) Mn(1)-F(1) bond length. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(8), one F(2), and one F(3) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(4)O4 tetrahedra, corners with two equivalent Mn(5)O4 tetrahedra, edges with two equivalent Mn(2)O4F2 octahedra, and edges with four equivalent Mg(1)O2F4 octahedra. Both Mn(2)-O(1) bond lengths are 2.01 Å. Both Mn(2)-O(8) bond lengths are 2.01 Å. The Mn(2)-F(2) bond length is 2.16 Å. The Mn(2)-F(3) bond length is 2.16 Å. In the third Mn site, Mn(3) is bonded to one O(4), one O(5), two equivalent O(2), and two equivalent F(4) atoms to form MnO4F2 octahedra that share corners with four equivalent Mn(6)O4F2 octahedra, corners with four equivalent Mn(5)O4 tetrahedra, and edges with two equivalent Mn(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. The Mn(3)-O(4) bond length is 1.93 Å. The Mn(3)-O(5) bond length is 1.95 Å. There is one shorter (1.96 Å) and one longer (1.98 Å) Mn(3)-O(2) bond length. There is one shorter (2.06 Å) and one longer (2.10 Å) Mn(3)-F(4) bond length. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(7), and two equivalent O(3) atoms to form MnO4 tetrahedra that share  a cornercorner with one Mg(1)O2F4 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(1)O4F2 octahedra, and corners with two equivalent Mn(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-61°. The Mn(4)-O(1) bond length is 2.08 Å. The Mn(4)-O(7) bond length is 1.97 Å. Both Mn(4)-O(3) bond lengths are 1.92 Å. In the fifth Mn site, Mn(5) is bonded to one O(2), one O(8), and two equivalent O(5) atoms to form MnO4 tetrahedra that share  a cornercorner with one Mg(1)O2F4 octahedra, corners with two equivalent Mn(2)O4F2 octahedra, corners with four equivalent Mn(3)O4F2 octahedra, and corners with two equivalent Mn(5)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 54-60°. The Mn(5)-O(2) bond length is 1.98 Å. The Mn(5)-O(8) bond length is 2.08 Å. Both Mn(5)-O(5) bond lengths are 1.92 Å. In the sixth Mn site, Mn(6) is bonded to two equivalent O(4), two equivalent O(6), one F(1), and one F(4) atom to form a mixture of corner and edge-sharing MnO4F2 octahedra. The corner-sharing octahedral tilt angles range from 47-51°. Both Mn(6)-O(4) bond lengths are 1.97 Å. There is one shorter (1.96 Å) and one longer (1.97 Å) Mn(6)-O(6) bond length. The Mn(6)-F(1) bond length is 2.45 Å. The Mn(6)-F(4) bond length is 2.45 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(4), and two equivalent Mn(2) 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 trigonal planar geometry to one Mn(5) and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(4) atoms. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(6) atoms. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(5) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(6) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(1) atoms. In the eighth O site, O(8) is bonded to one Mg(1), one Mn(5), and two equivalent Mn(2) atoms to form a mixture of distorted corner and edge-sharing OMgMn3 trigonal pyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a 3-coordinate geometry to one Mn(6) and two equivalent Mn(1) atoms. In the second F site, F(2) is bonded in a distorted T-shaped geometry to two equivalent Mg(1) and one Mn(2) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to two equivalent Mg(1) and one Mn(2) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Mn(6) and two equivalent Mn(3) atoms.