MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(5), one O(6), one F(1), one F(2), and one F(3) atom to form MgO3F3 octahedra that share  a cornercorner with one Mn(2)O4F2 octahedra, corners with two equivalent Mn(6)O3F3 octahedra,  a cornercorner with one Mn(4)O4F trigonal bipyramid,  an edgeedge with one Mn(1)O4F2 octahedra, edges with two equivalent Mn(5)O4F2 octahedra, and  a faceface with one Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), one O(7), one O(8), one F(2), and one F(4) atom to form MnO4F2 octahedra that share corners with three equivalent Mn(6)O3F3 octahedra, corners with three equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra,  an edgeedge with one Mn(5)O4F2 octahedra, and  an edgeedge with one Mn(4)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-57°. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(5), one O(7), one F(2), and one F(3) atom to form MnO4F2 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with three equivalent Mn(1)O4F2 octahedra, corners with three equivalent Mn(5)O4F2 octahedra,  a cornercorner with one Mn(4)O4F trigonal bipyramid,  an edgeedge with one Mn(6)O3F3 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 40-56°. In the third Mn site, Mn(3) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), one O(6), and one F(1) atom. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(3), one O(6), one O(8), and one F(4) atom to form distorted MnO4F trigonal bipyramids that share  a cornercorner with one Mg(1)O3F3 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with three equivalent Mn(6)O3F3 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra, and  an edgeedge with one Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 52-73°. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(6), one O(7), one F(1), and one F(3) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(6)O3F3 octahedra, corners with three equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra, edges with two equivalent Mg(1)O3F3 octahedra, and  an edgeedge with one Mn(4)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-54°. In the sixth Mn site, Mn(6) is bonded to one O(3), one O(4), one O(8), one F(1), one F(3), and one F(4) atom to form MnO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with two equivalent Mn(5)O4F2 octahedra, corners with three equivalent Mn(1)O4F2 octahedra, corners with three equivalent Mn(4)O4F trigonal bipyramids, and  an edgeedge with one Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(5) atom to form corner-sharing OMgMn3 trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(2), and one Mn(3) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) atom to form distorted corner-sharing OMgMn3 trigonal pyramids. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(3), one Mn(5), and one Mn(6) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(2), one Mn(5), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom.
MgMn6(O2F)4 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(1), one O(5), one O(6), one F(1), one F(2), and one F(3) atom to form MgO3F3 octahedra that share  a cornercorner with one Mn(2)O4F2 octahedra, corners with two equivalent Mn(6)O3F3 octahedra,  a cornercorner with one Mn(4)O4F trigonal bipyramid,  an edgeedge with one Mn(1)O4F2 octahedra, edges with two equivalent Mn(5)O4F2 octahedra, and  a faceface with one Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 43-56°. The Mg(1)-O(1) bond length is 2.07 Å. The Mg(1)-O(5) bond length is 2.06 Å. The Mg(1)-O(6) bond length is 2.00 Å. The Mg(1)-F(1) bond length is 2.00 Å. The Mg(1)-F(2) bond length is 1.99 Å. The Mg(1)-F(3) bond length is 2.06 Å. There are six inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(4), one O(7), one O(8), one F(2), and one F(4) atom to form MnO4F2 octahedra that share corners with three equivalent Mn(6)O3F3 octahedra, corners with three equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra,  an edgeedge with one Mn(5)O4F2 octahedra, and  an edgeedge with one Mn(4)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 42-57°. The Mn(1)-O(1) bond length is 1.95 Å. The Mn(1)-O(4) bond length is 2.13 Å. The Mn(1)-O(7) bond length is 1.92 Å. The Mn(1)-O(8) bond length is 1.98 Å. The Mn(1)-F(2) bond length is 2.37 Å. The Mn(1)-F(4) bond length is 2.10 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(3), one O(5), one O(7), one F(2), and one F(3) atom to form MnO4F2 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with three equivalent Mn(1)O4F2 octahedra, corners with three equivalent Mn(5)O4F2 octahedra,  a cornercorner with one Mn(4)O4F trigonal bipyramid,  an edgeedge with one Mn(6)O3F3 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 40-56°. The Mn(2)-O(1) bond length is 2.05 Å. The Mn(2)-O(3) bond length is 1.91 Å. The Mn(2)-O(5) bond length is 1.92 Å. The Mn(2)-O(7) bond length is 1.93 Å. The Mn(2)-F(2) bond length is 2.10 Å. The Mn(2)-F(3) bond length is 2.28 Å. In the third Mn site, Mn(3) is bonded in a 4-coordinate geometry to one O(2), one O(4), one O(5), one O(6), and one F(1) atom. The Mn(3)-O(2) bond length is 1.97 Å. The Mn(3)-O(4) bond length is 1.88 Å. The Mn(3)-O(5) bond length is 1.85 Å. The Mn(3)-O(6) bond length is 2.06 Å. The Mn(3)-F(1) bond length is 2.61 Å. In the fourth Mn site, Mn(4) is bonded to one O(2), one O(3), one O(6), one O(8), and one F(4) atom to form distorted MnO4F trigonal bipyramids that share  a cornercorner with one Mg(1)O3F3 octahedra,  a cornercorner with one Mn(2)O4F2 octahedra, corners with three equivalent Mn(6)O3F3 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra, and  an edgeedge with one Mn(5)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 52-73°. The Mn(4)-O(2) bond length is 1.92 Å. The Mn(4)-O(3) bond length is 1.98 Å. The Mn(4)-O(6) bond length is 2.09 Å. The Mn(4)-O(8) bond length is 1.99 Å. The Mn(4)-F(4) bond length is 2.22 Å. In the fifth Mn site, Mn(5) is bonded to one O(1), one O(2), one O(6), one O(7), one F(1), and one F(3) atom to form MnO4F2 octahedra that share corners with two equivalent Mn(6)O3F3 octahedra, corners with three equivalent Mn(2)O4F2 octahedra,  an edgeedge with one Mn(1)O4F2 octahedra, edges with two equivalent Mg(1)O3F3 octahedra, and  an edgeedge with one Mn(4)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 40-54°. The Mn(5)-O(1) bond length is 1.98 Å. The Mn(5)-O(2) bond length is 1.99 Å. The Mn(5)-O(6) bond length is 1.97 Å. The Mn(5)-O(7) bond length is 1.93 Å. The Mn(5)-F(1) bond length is 2.24 Å. The Mn(5)-F(3) bond length is 2.40 Å. In the sixth Mn site, Mn(6) is bonded to one O(3), one O(4), one O(8), one F(1), one F(3), and one F(4) atom to form MnO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with two equivalent Mn(5)O4F2 octahedra, corners with three equivalent Mn(1)O4F2 octahedra, corners with three equivalent Mn(4)O4F trigonal bipyramids, and  an edgeedge with one Mn(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 42-57°. The Mn(6)-O(3) bond length is 1.97 Å. The Mn(6)-O(4) bond length is 1.92 Å. The Mn(6)-O(8) bond length is 1.94 Å. The Mn(6)-F(1) bond length is 2.26 Å. The Mn(6)-F(3) bond length is 2.27 Å. The Mn(6)-F(4) bond length is 2.04 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded to one Mg(1), one Mn(1), one Mn(2), and one Mn(5) atom to form corner-sharing OMgMn3 trigonal pyramids. In the second O site, O(2) is bonded in a trigonal planar geometry to one Mn(3), one Mn(4), and one Mn(5) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Mn(2), one Mn(4), and one Mn(6) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(3), and one Mn(6) atom. In the fifth O site, O(5) is bonded in a distorted T-shaped geometry to one Mg(1), one Mn(2), and one Mn(3) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Mn(3), one Mn(4), and one Mn(5) atom to form distorted corner-sharing OMgMn3 trigonal pyramids. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(5) atom. In the eighth O site, O(8) is bonded in a trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom. There are four inequivalent F sites. In the first F site, F(1) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Mn(3), one Mn(5), and one Mn(6) atom. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Mg(1), one Mn(1), and one Mn(2) atom. In the third F site, F(3) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(2), one Mn(5), and one Mn(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(4), and one Mn(6) atom.