MgMn6(O2F)4 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(2), one O(4), two equivalent F(2), and two equivalent F(4) atoms to form MgO2F4 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with two equivalent Mn(3)O5 square pyramids, corners with two equivalent Mn(6)O5 square pyramids, edges with two equivalent Mg(1)O2F4 octahedra,  a faceface with one Mn(1)O4F2 octahedra, and  a faceface with one Mn(4)O4F2 octahedra. The corner-sharing octahedral tilt angles are 39°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent F(4) atoms to form distorted MnO4F2 octahedra that share corners with two equivalent Mg(1)O2F4 octahedra, corners with two equivalent Mn(2)O2F4 octahedra, corners with four equivalent Mn(3)O5 square pyramids, edges with two equivalent Mn(1)O4F2 octahedra, and  a faceface with one Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. In the second Mn site, Mn(2) is bonded to one O(1), one O(5), two equivalent F(1), and two equivalent F(3) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(5)O4F2 octahedra, and edges with two equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the third Mn site, Mn(3) is bonded to one O(6), two equivalent O(2), and two equivalent O(3) atoms to form MnO5 square pyramids that share corners with two equivalent Mg(1)O2F4 octahedra, corners with two equivalent Mn(5)O4F2 octahedra, corners with four equivalent Mn(1)O4F2 octahedra, and edges with two equivalent Mn(3)O5 square pyramids. The corner-sharing octahedral tilt angles range from 51-69°. In the fourth Mn site, Mn(4) is bonded to one O(4), one O(8), two equivalent O(5), and two equivalent F(2) atoms to form distorted MnO4F2 octahedra that share corners with two equivalent Mg(1)O2F4 octahedra, corners with two equivalent Mn(2)O2F4 octahedra, corners with four equivalent Mn(6)O5 square pyramids, edges with two equivalent Mn(4)O4F2 octahedra, and  a faceface with one Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. In the fifth Mn site, Mn(5) is bonded to two equivalent O(6), two equivalent O(7), one F(1), and one F(3) atom to form MnO4F2 octahedra that share corners with four equivalent Mn(2)O2F4 octahedra, corners with two equivalent Mn(3)O5 square pyramids, corners with two equivalent Mn(6)O5 square pyramids, and edges with two equivalent Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles are 50°. In the sixth Mn site, Mn(6) is bonded to one O(7), two equivalent O(4), and two equivalent O(8) atoms to form MnO5 square pyramids that share corners with two equivalent Mg(1)O2F4 octahedra, corners with two equivalent Mn(5)O4F2 octahedra, corners with four equivalent Mn(4)O4F2 octahedra, and edges with two equivalent Mn(6)O5 square pyramids. The corner-sharing octahedral tilt angles range from 51-69°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to one Mg(1), one Mn(1), and two equivalent Mn(3) atoms to form distorted corner-sharing OMgMn3 tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(4), and two equivalent Mn(6) atoms to form distorted corner-sharing OMgMn3 tetrahedra. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(4) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(5) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(6) and two equivalent Mn(5) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(6) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(5) and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Mn(4) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(5) and two equivalent Mn(2) atoms. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Mn(1) atoms.
MgMn6(O2F)4 crystallizes in the monoclinic Pm space group. Mg(1) is bonded to one O(2), one O(4), two equivalent F(2), and two equivalent F(4) atoms to form MgO2F4 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with two equivalent Mn(3)O5 square pyramids, corners with two equivalent Mn(6)O5 square pyramids, edges with two equivalent Mg(1)O2F4 octahedra,  a faceface with one Mn(1)O4F2 octahedra, and  a faceface with one Mn(4)O4F2 octahedra. The corner-sharing octahedral tilt angles are 39°. The Mg(1)-O(2) bond length is 2.05 Å. The Mg(1)-O(4) bond length is 2.05 Å. Both Mg(1)-F(2) bond lengths are 2.07 Å. Both Mg(1)-F(4) bond lengths are 2.07 Å. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), two equivalent O(1), and two equivalent F(4) atoms to form distorted MnO4F2 octahedra that share corners with two equivalent Mg(1)O2F4 octahedra, corners with two equivalent Mn(2)O2F4 octahedra, corners with four equivalent Mn(3)O5 square pyramids, edges with two equivalent Mn(1)O4F2 octahedra, and  a faceface with one Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. The Mn(1)-O(2) bond length is 2.23 Å. The Mn(1)-O(3) bond length is 2.03 Å. Both Mn(1)-O(1) bond lengths are 1.93 Å. Both Mn(1)-F(4) bond lengths are 2.44 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(5), two equivalent F(1), and two equivalent F(3) atoms to form MnO2F4 octahedra that share corners with two equivalent Mn(1)O4F2 octahedra, corners with two equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(5)O4F2 octahedra, and edges with two equivalent Mn(2)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 50-53°. The Mn(2)-O(1) bond length is 1.93 Å. The Mn(2)-O(5) bond length is 1.93 Å. Both Mn(2)-F(1) bond lengths are 2.01 Å. Both Mn(2)-F(3) bond lengths are 2.01 Å. In the third Mn site, Mn(3) is bonded to one O(6), two equivalent O(2), and two equivalent O(3) atoms to form MnO5 square pyramids that share corners with two equivalent Mg(1)O2F4 octahedra, corners with two equivalent Mn(5)O4F2 octahedra, corners with four equivalent Mn(1)O4F2 octahedra, and edges with two equivalent Mn(3)O5 square pyramids. The corner-sharing octahedral tilt angles range from 51-69°. The Mn(3)-O(6) bond length is 1.97 Å. Both Mn(3)-O(2) bond lengths are 2.03 Å. Both Mn(3)-O(3) bond lengths are 1.98 Å. In the fourth Mn site, Mn(4) is bonded to one O(4), one O(8), two equivalent O(5), and two equivalent F(2) atoms to form distorted MnO4F2 octahedra that share corners with two equivalent Mg(1)O2F4 octahedra, corners with two equivalent Mn(2)O2F4 octahedra, corners with four equivalent Mn(6)O5 square pyramids, edges with two equivalent Mn(4)O4F2 octahedra, and  a faceface with one Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 39-53°. The Mn(4)-O(4) bond length is 2.23 Å. The Mn(4)-O(8) bond length is 2.03 Å. Both Mn(4)-O(5) bond lengths are 1.93 Å. Both Mn(4)-F(2) bond lengths are 2.43 Å. In the fifth Mn site, Mn(5) is bonded to two equivalent O(6), two equivalent O(7), one F(1), and one F(3) atom to form MnO4F2 octahedra that share corners with four equivalent Mn(2)O2F4 octahedra, corners with two equivalent Mn(3)O5 square pyramids, corners with two equivalent Mn(6)O5 square pyramids, and edges with two equivalent Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles are 50°. Both Mn(5)-O(6) bond lengths are 1.97 Å. Both Mn(5)-O(7) bond lengths are 1.97 Å. The Mn(5)-F(1) bond length is 2.05 Å. The Mn(5)-F(3) bond length is 2.05 Å. In the sixth Mn site, Mn(6) is bonded to one O(7), two equivalent O(4), and two equivalent O(8) atoms to form MnO5 square pyramids that share corners with two equivalent Mg(1)O2F4 octahedra, corners with two equivalent Mn(5)O4F2 octahedra, corners with four equivalent Mn(4)O4F2 octahedra, and edges with two equivalent Mn(6)O5 square pyramids. The corner-sharing octahedral tilt angles range from 51-69°. The Mn(6)-O(7) bond length is 1.97 Å. Both Mn(6)-O(4) bond lengths are 2.03 Å. Both Mn(6)-O(8) bond lengths are 1.98 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms. In the second O site, O(2) is bonded to one Mg(1), one Mn(1), and two equivalent Mn(3) atoms to form distorted corner-sharing OMgMn3 tetrahedra. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(1) and two equivalent Mn(3) atoms. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(4), and two equivalent Mn(6) atoms to form distorted corner-sharing OMgMn3 tetrahedra. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(4) atoms. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Mn(3) and two equivalent Mn(5) atoms. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(6) and two equivalent Mn(5) atoms. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(4) and two equivalent Mn(6) atoms. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted trigonal planar geometry to one Mn(5) and two equivalent Mn(2) atoms. In the second F site, F(2) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Mn(4) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Mn(5) and two equivalent Mn(2) atoms. In the fourth F site, F(4) is bonded in a 4-coordinate geometry to two equivalent Mg(1) and two equivalent Mn(1) atoms.