MgCo6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), and one F(3) atom. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(6), one F(1), one F(3), and one F(4) atom to form CoO3F3 octahedra that share corners with three equivalent Co(4)O5 trigonal bipyramids,  an edgeedge with one Co(3)O2F4 octahedra, and  an edgeedge with one Co(2)O3F3 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(7), one F(2), one F(3), and one F(5) atom to form CoO3F3 octahedra that share corners with three equivalent Co(4)O5 trigonal bipyramids,  an edgeedge with one Co(3)O2F4 octahedra, and  an edgeedge with one Co(1)O3F3 octahedra. In the third Co site, Co(3) is bonded to one O(4), one O(5), one F(1), one F(2), one F(4), and one F(5) atom to form edge-sharing CoO2F4 octahedra. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), one O(3), one O(6), and one O(7) atom to form distorted corner-sharing CoO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-57°. In the fifth Co site, Co(5) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), one F(1), and one F(4) atom. In the sixth Co site, Co(6) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(5), one O(7), one F(2), and one F(5) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(2), and one Co(4) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Co(2), one Co(4), and one Co(6) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(4), and one Co(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(5), and one Co(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(5), and one Co(6) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Co(1), one Co(4), and one Co(5) atom to form distorted edge-sharing OMgCo3 trigonal pyramids. In the seventh O site, O(7) is bonded to one Mg(1), one Co(2), one Co(4), and one Co(6) atom to form distorted edge-sharing OMgCo3 trigonal pyramids. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Co(1), one Co(3), and one Co(5) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Co(2), one Co(3), and one Co(6) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(1), and one Co(2) atom. In the fourth F site, F(4) is bonded in a distorted L-shaped geometry to one Co(1), one Co(3), and one Co(5) atom. In the fifth F site, F(5) is bonded in a distorted L-shaped geometry to one Co(2), one Co(3), and one Co(6) atom.
MgCo6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(3), one O(6), one O(7), and one F(3) atom. The Mg(1)-O(1) bond length is 2.02 Å. The Mg(1)-O(2) bond length is 2.26 Å. The Mg(1)-O(3) bond length is 2.24 Å. The Mg(1)-O(6) bond length is 2.07 Å. The Mg(1)-O(7) bond length is 2.08 Å. The Mg(1)-F(3) bond length is 1.88 Å. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(3), one O(6), one F(1), one F(3), and one F(4) atom to form CoO3F3 octahedra that share corners with three equivalent Co(4)O5 trigonal bipyramids,  an edgeedge with one Co(3)O2F4 octahedra, and  an edgeedge with one Co(2)O3F3 octahedra. The Co(1)-O(1) bond length is 2.00 Å. The Co(1)-O(3) bond length is 2.05 Å. The Co(1)-O(6) bond length is 2.10 Å. The Co(1)-F(1) bond length is 2.01 Å. The Co(1)-F(3) bond length is 2.09 Å. The Co(1)-F(4) bond length is 2.03 Å. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(7), one F(2), one F(3), and one F(5) atom to form CoO3F3 octahedra that share corners with three equivalent Co(4)O5 trigonal bipyramids,  an edgeedge with one Co(3)O2F4 octahedra, and  an edgeedge with one Co(1)O3F3 octahedra. The Co(2)-O(1) bond length is 2.00 Å. The Co(2)-O(2) bond length is 2.05 Å. The Co(2)-O(7) bond length is 2.10 Å. The Co(2)-F(2) bond length is 2.02 Å. The Co(2)-F(3) bond length is 2.09 Å. The Co(2)-F(5) bond length is 2.02 Å. In the third Co site, Co(3) is bonded to one O(4), one O(5), one F(1), one F(2), one F(4), and one F(5) atom to form edge-sharing CoO2F4 octahedra. The Co(3)-O(4) bond length is 2.08 Å. The Co(3)-O(5) bond length is 1.93 Å. The Co(3)-F(1) bond length is 2.02 Å. The Co(3)-F(2) bond length is 2.01 Å. The Co(3)-F(4) bond length is 1.98 Å. The Co(3)-F(5) bond length is 1.98 Å. In the fourth Co site, Co(4) is bonded to one O(1), one O(2), one O(3), one O(6), and one O(7) atom to form distorted corner-sharing CoO5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 44-57°. The Co(4)-O(1) bond length is 1.86 Å. The Co(4)-O(2) bond length is 1.90 Å. The Co(4)-O(3) bond length is 1.90 Å. The Co(4)-O(6) bond length is 1.90 Å. The Co(4)-O(7) bond length is 1.90 Å. In the fifth Co site, Co(5) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(5), one O(6), one F(1), and one F(4) atom. The Co(5)-O(3) bond length is 1.93 Å. The Co(5)-O(4) bond length is 1.87 Å. The Co(5)-O(5) bond length is 1.89 Å. The Co(5)-O(6) bond length is 1.92 Å. The Co(5)-F(1) bond length is 2.32 Å. The Co(5)-F(4) bond length is 2.63 Å. In the sixth Co site, Co(6) is bonded in a 6-coordinate geometry to one O(2), one O(4), one O(5), one O(7), one F(2), and one F(5) atom. The Co(6)-O(2) bond length is 1.94 Å. The Co(6)-O(4) bond length is 1.87 Å. The Co(6)-O(5) bond length is 1.89 Å. The Co(6)-O(7) bond length is 1.92 Å. The Co(6)-F(2) bond length is 2.33 Å. The Co(6)-F(5) bond length is 2.63 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(2), and one Co(4) atom. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Co(2), one Co(4), and one Co(6) atom. In the third O site, O(3) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(4), and one Co(5) atom. In the fourth O site, O(4) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(5), and one Co(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(3), one Co(5), and one Co(6) atom. In the sixth O site, O(6) is bonded to one Mg(1), one Co(1), one Co(4), and one Co(5) atom to form distorted edge-sharing OMgCo3 trigonal pyramids. In the seventh O site, O(7) is bonded to one Mg(1), one Co(2), one Co(4), and one Co(6) atom to form distorted edge-sharing OMgCo3 trigonal pyramids. There are five inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Co(1), one Co(3), and one Co(5) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Co(2), one Co(3), and one Co(6) atom. In the third F site, F(3) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(1), and one Co(2) atom. In the fourth F site, F(4) is bonded in a distorted L-shaped geometry to one Co(1), one Co(3), and one Co(5) atom. In the fifth F site, F(5) is bonded in a distorted L-shaped geometry to one Co(2), one Co(3), and one Co(6) atom.