MgCo6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(4), one O(5), one O(6), one F(2), and one F(4) atom to form MgO4F2 octahedra that share corners with two equivalent Co(4)O4F trigonal bipyramids, corners with two equivalent Co(6)O4F trigonal bipyramids, edges with two equivalent Co(1)O3F3 octahedra, and edges with two equivalent Co(3)O3F3 octahedra. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(6), one O(7), one F(1), one F(2), and one F(4) atom to form distorted CoO3F3 octahedra that share corners with three equivalent Co(4)O4F trigonal bipyramids,  an edgeedge with one Co(2)O3F3 octahedra,  an edgeedge with one Co(3)O3F3 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(7), one F(1), one F(3), and one F(5) atom to form CoO3F3 octahedra that share corners with three equivalent Co(4)O4F trigonal bipyramids, corners with three equivalent Co(6)O4F trigonal bipyramids,  an edgeedge with one Co(1)O3F3 octahedra, and  an edgeedge with one Co(3)O3F3 octahedra. In the third Co site, Co(3) is bonded to one O(1), one O(4), one O(5), one F(2), one F(4), and one F(5) atom to form distorted CoO3F3 octahedra that share corners with three equivalent Co(6)O4F trigonal bipyramids,  an edgeedge with one Co(1)O3F3 octahedra,  an edgeedge with one Co(2)O3F3 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. In the fourth Co site, Co(4) is bonded to one O(2), one O(3), one O(6), one O(7), and one F(3) atom to form CoO4F trigonal bipyramids that share corners with two equivalent Mg(1)O4F2 octahedra, corners with three equivalent Co(1)O3F3 octahedra, corners with three equivalent Co(2)O3F3 octahedra, and  an edgeedge with one Co(6)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 31-64°. In the fifth Co site, Co(5) is bonded in a distorted square co-planar geometry to one O(3), one O(4), one O(5), one O(6), and one F(2) atom. In the sixth Co site, Co(6) is bonded to one O(1), one O(2), one O(4), one O(5), and one F(3) atom to form CoO4F trigonal bipyramids that share corners with two equivalent Mg(1)O4F2 octahedra, corners with three equivalent Co(2)O3F3 octahedra, corners with three equivalent Co(3)O3F3 octahedra, and  an edgeedge with one Co(4)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-63°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Co(2), one Co(3), and one Co(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(6) atom. In the third O site, O(3) is bonded to one Mg(1), one Co(1), one Co(4), and one Co(5) atom to form distorted corner-sharing OMgCo3 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Co(3), one Co(5), and one Co(6) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Co(3), one Co(5), and one Co(6) atom to form distorted corner-sharing OMgCo3 trigonal pyramids. In the sixth O site, O(6) 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 seventh O site, O(7) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one Co(4) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in an L-shaped geometry to one Co(1) and one Co(2) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Mg(1), one Co(1), one Co(3), and one Co(5) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Co(6) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), and one Co(3) atom. In the fifth F site, F(5) is bonded in an L-shaped geometry to one Co(2) and one Co(3) atom.
MgCo6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(4), one O(5), one O(6), one F(2), and one F(4) atom to form MgO4F2 octahedra that share corners with two equivalent Co(4)O4F trigonal bipyramids, corners with two equivalent Co(6)O4F trigonal bipyramids, edges with two equivalent Co(1)O3F3 octahedra, and edges with two equivalent Co(3)O3F3 octahedra. The Mg(1)-O(3) bond length is 2.03 Å. The Mg(1)-O(4) bond length is 2.15 Å. The Mg(1)-O(5) bond length is 2.07 Å. The Mg(1)-O(6) bond length is 2.16 Å. The Mg(1)-F(2) bond length is 1.96 Å. The Mg(1)-F(4) bond length is 1.95 Å. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(3), one O(6), one O(7), one F(1), one F(2), and one F(4) atom to form distorted CoO3F3 octahedra that share corners with three equivalent Co(4)O4F trigonal bipyramids,  an edgeedge with one Co(2)O3F3 octahedra,  an edgeedge with one Co(3)O3F3 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The Co(1)-O(3) bond length is 2.06 Å. The Co(1)-O(6) bond length is 2.20 Å. The Co(1)-O(7) bond length is 1.78 Å. The Co(1)-F(1) bond length is 1.94 Å. The Co(1)-F(2) bond length is 2.20 Å. The Co(1)-F(4) bond length is 2.05 Å. In the second Co site, Co(2) is bonded to one O(1), one O(2), one O(7), one F(1), one F(3), and one F(5) atom to form CoO3F3 octahedra that share corners with three equivalent Co(4)O4F trigonal bipyramids, corners with three equivalent Co(6)O4F trigonal bipyramids,  an edgeedge with one Co(1)O3F3 octahedra, and  an edgeedge with one Co(3)O3F3 octahedra. The Co(2)-O(1) bond length is 2.10 Å. The Co(2)-O(2) bond length is 2.01 Å. The Co(2)-O(7) bond length is 2.11 Å. The Co(2)-F(1) bond length is 2.01 Å. The Co(2)-F(3) bond length is 2.09 Å. The Co(2)-F(5) bond length is 2.01 Å. In the third Co site, Co(3) is bonded to one O(1), one O(4), one O(5), one F(2), one F(4), and one F(5) atom to form distorted CoO3F3 octahedra that share corners with three equivalent Co(6)O4F trigonal bipyramids,  an edgeedge with one Co(1)O3F3 octahedra,  an edgeedge with one Co(2)O3F3 octahedra, and edges with two equivalent Mg(1)O4F2 octahedra. The Co(3)-O(1) bond length is 1.79 Å. The Co(3)-O(4) bond length is 2.09 Å. The Co(3)-O(5) bond length is 2.11 Å. The Co(3)-F(2) bond length is 2.07 Å. The Co(3)-F(4) bond length is 2.14 Å. The Co(3)-F(5) bond length is 1.95 Å. In the fourth Co site, Co(4) is bonded to one O(2), one O(3), one O(6), one O(7), and one F(3) atom to form CoO4F trigonal bipyramids that share corners with two equivalent Mg(1)O4F2 octahedra, corners with three equivalent Co(1)O3F3 octahedra, corners with three equivalent Co(2)O3F3 octahedra, and  an edgeedge with one Co(6)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 31-64°. The Co(4)-O(2) bond length is 1.88 Å. The Co(4)-O(3) bond length is 2.05 Å. The Co(4)-O(6) bond length is 1.93 Å. The Co(4)-O(7) bond length is 1.97 Å. The Co(4)-F(3) bond length is 2.10 Å. In the fifth Co site, Co(5) is bonded in a distorted square co-planar geometry to one O(3), one O(4), one O(5), one O(6), and one F(2) atom. The Co(5)-O(3) bond length is 1.85 Å. The Co(5)-O(4) bond length is 1.86 Å. The Co(5)-O(5) bond length is 1.88 Å. The Co(5)-O(6) bond length is 1.90 Å. The Co(5)-F(2) bond length is 2.55 Å. In the sixth Co site, Co(6) is bonded to one O(1), one O(2), one O(4), one O(5), and one F(3) atom to form CoO4F trigonal bipyramids that share corners with two equivalent Mg(1)O4F2 octahedra, corners with three equivalent Co(2)O3F3 octahedra, corners with three equivalent Co(3)O3F3 octahedra, and  an edgeedge with one Co(4)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 33-63°. The Co(6)-O(1) bond length is 1.95 Å. The Co(6)-O(2) bond length is 1.89 Å. The Co(6)-O(4) bond length is 2.05 Å. The Co(6)-O(5) bond length is 1.96 Å. The Co(6)-F(3) bond length is 2.11 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Co(2), one Co(3), and one Co(6) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(6) atom. In the third O site, O(3) is bonded to one Mg(1), one Co(1), one Co(4), and one Co(5) atom to form distorted corner-sharing OMgCo3 trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), one Co(3), one Co(5), and one Co(6) atom. In the fifth O site, O(5) is bonded to one Mg(1), one Co(3), one Co(5), and one Co(6) atom to form distorted corner-sharing OMgCo3 trigonal pyramids. In the sixth O site, O(6) 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 seventh O site, O(7) is bonded in a 3-coordinate geometry to one Co(1), one Co(2), and one Co(4) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in an L-shaped geometry to one Co(1) and one Co(2) atom. In the second F site, F(2) is bonded in a 4-coordinate geometry to one Mg(1), one Co(1), one Co(3), and one Co(5) atom. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Co(6) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Mg(1), one Co(1), and one Co(3) atom. In the fifth F site, F(5) is bonded in an L-shaped geometry to one Co(2) and one Co(3) atom.