MgMn6(O5F)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(1) atoms to form MgO4F2 octahedra that share corners with two equivalent Mn(4)O4F2 octahedra, corners with two equivalent Mn(3)O5F octahedra, edges with four equivalent Mn(1)O5F octahedra, and faces with two equivalent Mn(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-48°. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(5), two equivalent O(4), and one F(1) atom to form distorted MnO5F octahedra that share corners with two equivalent Mn(4)O4F2 octahedra, corners with six equivalent Mn(3)O5F octahedra,  an edgeedge with one Mn(1)O5F octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-58°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with four equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(3)O5F octahedra, and edges with two equivalent Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 50-54°. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), one O(4), two equivalent O(2), and one F(1) atom to form distorted MnO5F octahedra that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with six equivalent Mn(1)O5F octahedra,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Mn(3)O5F octahedra, and  a faceface with one Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-58°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with four equivalent Mn(1)O5F octahedra, corners with four equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-55°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(3), and two equivalent Mn(1) atoms to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. F(1) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), one Mn(3), and one Mn(4) atom.
MgMn6(O5F)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(2), two equivalent O(4), and two equivalent F(1) atoms to form MgO4F2 octahedra that share corners with two equivalent Mn(4)O4F2 octahedra, corners with two equivalent Mn(3)O5F octahedra, edges with four equivalent Mn(1)O5F octahedra, and faces with two equivalent Mn(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-48°. Both Mg(1)-O(2) bond lengths are 2.06 Å. Both Mg(1)-O(4) bond lengths are 1.97 Å. Both Mg(1)-F(1) bond lengths are 2.00 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(5), two equivalent O(4), and one F(1) atom to form distorted MnO5F octahedra that share corners with two equivalent Mn(4)O4F2 octahedra, corners with six equivalent Mn(3)O5F octahedra,  an edgeedge with one Mn(1)O5F octahedra,  an edgeedge with one Mn(2)O6 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-58°. The Mn(1)-O(2) bond length is 2.32 Å. The Mn(1)-O(3) bond length is 1.92 Å. The Mn(1)-O(5) bond length is 1.91 Å. Both Mn(1)-O(4) bond lengths are 1.98 Å. The Mn(1)-F(1) bond length is 2.50 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with four equivalent Mn(4)O4F2 octahedra, corners with four equivalent Mn(3)O5F octahedra, and edges with two equivalent Mn(1)O5F octahedra. The corner-sharing octahedral tilt angles range from 50-54°. Both Mn(2)-O(1) bond lengths are 2.51 Å. Both Mn(2)-O(3) bond lengths are 1.94 Å. Both Mn(2)-O(5) bond lengths are 1.94 Å. In the third Mn site, Mn(3) is bonded to one O(1), one O(3), one O(4), two equivalent O(2), and one F(1) atom to form distorted MnO5F octahedra that share  a cornercorner with one Mg(1)O4F2 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with six equivalent Mn(1)O5F octahedra,  an edgeedge with one Mn(4)O4F2 octahedra,  an edgeedge with one Mn(3)O5F octahedra, and  a faceface with one Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 36-58°. The Mn(3)-O(1) bond length is 1.82 Å. The Mn(3)-O(3) bond length is 1.89 Å. The Mn(3)-O(4) bond length is 2.10 Å. There is one shorter (1.84 Å) and one longer (2.12 Å) Mn(3)-O(2) bond length. The Mn(3)-F(1) bond length is 2.08 Å. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent O(5), and two equivalent F(1) atoms to form MnO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with four equivalent Mn(1)O5F octahedra, corners with four equivalent Mn(2)O6 octahedra, and edges with two equivalent Mn(3)O5F octahedra. The corner-sharing octahedral tilt angles range from 47-55°. Both Mn(4)-O(1) bond lengths are 1.97 Å. Both Mn(4)-O(5) bond lengths are 1.99 Å. Both Mn(4)-F(1) bond lengths are 2.23 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Mn(2), one Mn(3), and one Mn(4) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), and two equivalent Mn(3) atoms. In the third O site, O(3) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(3) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Mn(3), and two equivalent Mn(1) atoms to form a mixture of corner and edge-sharing OMgMn3 trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one Mn(4) atom. F(1) is bonded in a 4-coordinate geometry to one Mg(1), one Mn(1), one Mn(3), and one Mn(4) atom.