MgCo6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(4), one O(5), one F(1), one F(2), one F(3), and one F(5) atom to form MgO2F4 octahedra that share  a cornercorner with one Co(4)O2F4 octahedra, corners with two equivalent Co(6)O3F3 octahedra, edges with two equivalent Co(2)O4F2 octahedra, edges with two equivalent Co(3)O4F2 octahedra, and  a faceface with one Co(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(6), and one O(7) atom to form distorted CoO5 trigonal bipyramids that share  a cornercorner with one Co(4)O2F4 octahedra, corners with three equivalent Co(6)O3F3 octahedra,  an edgeedge with one Co(2)O4F2 octahedra, and  an edgeedge with one Co(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. In the second Co site, Co(2) is bonded to one O(3), one O(4), one O(5), one O(6), one F(1), and one F(3) atom to form distorted CoO4F2 octahedra that share corners with two equivalent Co(4)O2F4 octahedra, corners with two equivalent Co(6)O3F3 octahedra,  an edgeedge with one Co(3)O4F2 octahedra, edges with two equivalent Mg(1)O2F4 octahedra, and  an edgeedge with one Co(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-54°. In the third Co site, Co(3) is bonded to one O(2), one O(4), one O(5), one O(7), one F(2), and one F(5) atom to form distorted CoO4F2 octahedra that share corners with two equivalent Co(6)O3F3 octahedra, corners with four equivalent Co(4)O2F4 octahedra,  an edgeedge with one Co(2)O4F2 octahedra, edges with two equivalent Mg(1)O2F4 octahedra, and  an edgeedge with one Co(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 34-55°. In the fourth Co site, Co(4) is bonded to one O(2), one O(5), one F(1), one F(2), one F(4), and one F(5) atom to form distorted CoO2F4 octahedra that share  a cornercorner with one Mg(1)O2F4 octahedra, corners with two equivalent Co(2)O4F2 octahedra, corners with four equivalent Co(3)O4F2 octahedra,  a cornercorner with one Co(1)O5 trigonal bipyramid,  an edgeedge with one Co(6)O3F3 octahedra, and  a faceface with one Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 33-55°. In the fifth Co site, Co(5) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(6), one F(1), one F(3), and one F(5) atom. In the sixth Co site, Co(6) is bonded to one O(1), one O(3), one O(7), one F(2), one F(3), and one F(4) atom to form CoO3F3 octahedra that share corners with two equivalent Mg(1)O2F4 octahedra, corners with two equivalent Co(2)O4F2 octahedra, corners with two equivalent Co(3)O4F2 octahedra, corners with three equivalent Co(1)O5 trigonal bipyramids, and  an edgeedge with one Co(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(5), and one Co(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(6) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Co(2), one Co(3), and one Co(5) atom to form a mixture of corner and edge-sharing OMgCo3 trigonal pyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Co(2), one Co(3), and one Co(4) atom to form a mixture of corner and edge-sharing OMgCo3 trigonal pyramids. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(5) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(6) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Mg(1), one Co(2), one Co(4), and one Co(5) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Co(3), one Co(4), and one Co(6) atom. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(2), one Co(5), and one Co(6) atom. In the fourth F site, F(4) is bonded in a water-like geometry to one Co(4) and one Co(6) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Mg(1), one Co(3), one Co(4), and one Co(5) atom.
MgCo6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(4), one O(5), one F(1), one F(2), one F(3), and one F(5) atom to form MgO2F4 octahedra that share  a cornercorner with one Co(4)O2F4 octahedra, corners with two equivalent Co(6)O3F3 octahedra, edges with two equivalent Co(2)O4F2 octahedra, edges with two equivalent Co(3)O4F2 octahedra, and  a faceface with one Co(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. The Mg(1)-O(4) bond length is 1.99 Å. The Mg(1)-O(5) bond length is 1.99 Å. The Mg(1)-F(1) bond length is 2.00 Å. The Mg(1)-F(2) bond length is 2.01 Å. The Mg(1)-F(3) bond length is 1.98 Å. The Mg(1)-F(5) bond length is 1.99 Å. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(3), one O(6), and one O(7) atom to form distorted CoO5 trigonal bipyramids that share  a cornercorner with one Co(4)O2F4 octahedra, corners with three equivalent Co(6)O3F3 octahedra,  an edgeedge with one Co(2)O4F2 octahedra, and  an edgeedge with one Co(3)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 41-54°. The Co(1)-O(1) bond length is 1.87 Å. The Co(1)-O(2) bond length is 1.86 Å. The Co(1)-O(3) bond length is 1.92 Å. The Co(1)-O(6) bond length is 1.90 Å. The Co(1)-O(7) bond length is 1.91 Å. In the second Co site, Co(2) is bonded to one O(3), one O(4), one O(5), one O(6), one F(1), and one F(3) atom to form distorted CoO4F2 octahedra that share corners with two equivalent Co(4)O2F4 octahedra, corners with two equivalent Co(6)O3F3 octahedra,  an edgeedge with one Co(3)O4F2 octahedra, edges with two equivalent Mg(1)O2F4 octahedra, and  an edgeedge with one Co(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-54°. The Co(2)-O(3) bond length is 1.89 Å. The Co(2)-O(4) bond length is 1.93 Å. The Co(2)-O(5) bond length is 1.97 Å. The Co(2)-O(6) bond length is 1.86 Å. The Co(2)-F(1) bond length is 2.51 Å. The Co(2)-F(3) bond length is 2.25 Å. In the third Co site, Co(3) is bonded to one O(2), one O(4), one O(5), one O(7), one F(2), and one F(5) atom to form distorted CoO4F2 octahedra that share corners with two equivalent Co(6)O3F3 octahedra, corners with four equivalent Co(4)O2F4 octahedra,  an edgeedge with one Co(2)O4F2 octahedra, edges with two equivalent Mg(1)O2F4 octahedra, and  an edgeedge with one Co(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles range from 34-55°. The Co(3)-O(2) bond length is 1.87 Å. The Co(3)-O(4) bond length is 1.96 Å. The Co(3)-O(5) bond length is 1.91 Å. The Co(3)-O(7) bond length is 1.91 Å. The Co(3)-F(2) bond length is 2.36 Å. The Co(3)-F(5) bond length is 2.40 Å. In the fourth Co site, Co(4) is bonded to one O(2), one O(5), one F(1), one F(2), one F(4), and one F(5) atom to form distorted CoO2F4 octahedra that share  a cornercorner with one Mg(1)O2F4 octahedra, corners with two equivalent Co(2)O4F2 octahedra, corners with four equivalent Co(3)O4F2 octahedra,  a cornercorner with one Co(1)O5 trigonal bipyramid,  an edgeedge with one Co(6)O3F3 octahedra, and  a faceface with one Mg(1)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 33-55°. The Co(4)-O(2) bond length is 1.92 Å. The Co(4)-O(5) bond length is 1.99 Å. The Co(4)-F(1) bond length is 2.24 Å. The Co(4)-F(2) bond length is 2.20 Å. The Co(4)-F(4) bond length is 1.95 Å. The Co(4)-F(5) bond length is 2.01 Å. In the fifth Co site, Co(5) is bonded in a 6-coordinate geometry to one O(1), one O(4), one O(6), one F(1), one F(3), and one F(5) atom. The Co(5)-O(1) bond length is 1.93 Å. The Co(5)-O(4) bond length is 2.03 Å. The Co(5)-O(6) bond length is 1.93 Å. The Co(5)-F(1) bond length is 1.99 Å. The Co(5)-F(3) bond length is 2.30 Å. The Co(5)-F(5) bond length is 2.37 Å. In the sixth Co site, Co(6) is bonded to one O(1), one O(3), one O(7), one F(2), one F(3), and one F(4) atom to form CoO3F3 octahedra that share corners with two equivalent Mg(1)O2F4 octahedra, corners with two equivalent Co(2)O4F2 octahedra, corners with two equivalent Co(3)O4F2 octahedra, corners with three equivalent Co(1)O5 trigonal bipyramids, and  an edgeedge with one Co(4)O2F4 octahedra. The corner-sharing octahedral tilt angles range from 47-54°. The Co(6)-O(1) bond length is 1.91 Å. The Co(6)-O(3) bond length is 1.89 Å. The Co(6)-O(7) bond length is 1.89 Å. The Co(6)-F(2) bond length is 2.15 Å. The Co(6)-F(3) bond length is 2.27 Å. The Co(6)-F(4) bond length is 1.92 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(5), and one Co(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(4) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(6) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Co(2), one Co(3), and one Co(5) atom to form a mixture of corner and edge-sharing OMgCo3 trigonal pyramids. In the fifth O site, O(5) is bonded to one Mg(1), one Co(2), one Co(3), and one Co(4) atom to form a mixture of corner and edge-sharing OMgCo3 trigonal pyramids. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Co(1), one Co(2), and one Co(5) atom. In the seventh O site, O(7) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(6) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a 4-coordinate geometry to one Mg(1), one Co(2), one Co(4), and one Co(5) atom. In the second F site, F(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Co(3), one Co(4), and one Co(6) atom. In the third F site, F(3) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(2), one Co(5), and one Co(6) atom. In the fourth F site, F(4) is bonded in a water-like geometry to one Co(4) and one Co(6) atom. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Mg(1), one Co(3), one Co(4), and one Co(5) atom.