MgCo6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(4), one O(6), one F(1), one F(4), and one F(5) atom to form MgO3F3 octahedra that share  a cornercorner with one Co(3)O3F3 octahedra, corners with two equivalent Co(2)O3F3 octahedra,  a cornercorner with one Co(5)O4F square pyramid,  a cornercorner with one Co(1)O4F trigonal bipyramid,  an edgeedge with one Co(1)O4F trigonal bipyramid, and  a faceface with one Co(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(4), one O(6), one O(7), and one F(5) atom to form distorted CoO4F trigonal bipyramids that share  a cornercorner with one Mg(1)O3F3 octahedra,  a cornercorner with one Co(2)O3F3 octahedra, corners with two equivalent Co(3)O3F3 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra, and  an edgeedge with one Co(5)O4F square pyramid. The corner-sharing octahedral tilt angles range from 50-72°. In the second Co site, Co(2) is bonded to one O(1), one O(4), one O(5), one F(1), one F(2), and one F(3) atom to form CoO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with three equivalent Co(5)O4F square pyramids,  a cornercorner with one Co(1)O4F trigonal bipyramid, and  an edgeedge with one Co(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. In the third Co site, Co(3) is bonded to one O(2), one O(3), one O(6), one F(1), one F(3), and one F(4) atom to form CoO3F3 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with two equivalent Co(5)O4F square pyramids, corners with two equivalent Co(1)O4F trigonal bipyramids,  an edgeedge with one Co(2)O3F3 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles are 56°. In the fourth Co site, Co(4) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(7), and one F(5) atom. In the fifth Co site, Co(5) is bonded to one O(1), one O(2), one O(5), one O(6), and one F(2) atom to form CoO4F square pyramids that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with two equivalent Co(3)O3F3 octahedra, corners with three equivalent Co(2)O3F3 octahedra, and  an edgeedge with one Co(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 37-79°. In the sixth Co site, Co(6) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(7), one F(2), one F(4), and one F(5) atom. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Co(5) 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(5) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Mg(1), one Co(3), one Co(4), and one Co(6) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(2), and one Co(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Co(5) atom. In the sixth O site, O(6) is bonded in a trigonal pyramidal geometry to one Mg(1), one Co(1), one Co(3), 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(4), and one Co(6) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a T-shaped geometry to one Mg(1), one Co(2), and one Co(3) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(5), and one Co(6) atom. In the third F site, F(3) is bonded in a water-like geometry to one Co(2) and one Co(3) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Mg(1), one Co(3), 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(1), one Co(4), and one Co(6) atom.
MgCo6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(4), one O(6), one F(1), one F(4), and one F(5) atom to form MgO3F3 octahedra that share  a cornercorner with one Co(3)O3F3 octahedra, corners with two equivalent Co(2)O3F3 octahedra,  a cornercorner with one Co(5)O4F square pyramid,  a cornercorner with one Co(1)O4F trigonal bipyramid,  an edgeedge with one Co(1)O4F trigonal bipyramid, and  a faceface with one Co(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-56°. The Mg(1)-O(3) bond length is 2.15 Å. The Mg(1)-O(4) bond length is 2.15 Å. The Mg(1)-O(6) bond length is 2.02 Å. The Mg(1)-F(1) bond length is 1.98 Å. The Mg(1)-F(4) bond length is 1.95 Å. The Mg(1)-F(5) bond length is 1.96 Å. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(4), one O(6), one O(7), and one F(5) atom to form distorted CoO4F trigonal bipyramids that share  a cornercorner with one Mg(1)O3F3 octahedra,  a cornercorner with one Co(2)O3F3 octahedra, corners with two equivalent Co(3)O3F3 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra, and  an edgeedge with one Co(5)O4F square pyramid. The corner-sharing octahedral tilt angles range from 50-72°. The Co(1)-O(2) bond length is 1.94 Å. The Co(1)-O(4) bond length is 1.80 Å. The Co(1)-O(6) bond length is 2.01 Å. The Co(1)-O(7) bond length is 1.96 Å. The Co(1)-F(5) bond length is 2.05 Å. In the second Co site, Co(2) is bonded to one O(1), one O(4), one O(5), one F(1), one F(2), and one F(3) atom to form CoO3F3 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with three equivalent Co(5)O4F square pyramids,  a cornercorner with one Co(1)O4F trigonal bipyramid, and  an edgeedge with one Co(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 45-49°. The Co(2)-O(1) bond length is 2.02 Å. The Co(2)-O(4) bond length is 2.00 Å. The Co(2)-O(5) bond length is 2.01 Å. The Co(2)-F(1) bond length is 2.07 Å. The Co(2)-F(2) bond length is 2.10 Å. The Co(2)-F(3) bond length is 2.02 Å. In the third Co site, Co(3) is bonded to one O(2), one O(3), one O(6), one F(1), one F(3), and one F(4) atom to form CoO3F3 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with two equivalent Co(5)O4F square pyramids, corners with two equivalent Co(1)O4F trigonal bipyramids,  an edgeedge with one Co(2)O3F3 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles are 56°. The Co(3)-O(2) bond length is 1.91 Å. The Co(3)-O(3) bond length is 1.98 Å. The Co(3)-O(6) bond length is 2.05 Å. The Co(3)-F(1) bond length is 2.10 Å. The Co(3)-F(3) bond length is 1.90 Å. The Co(3)-F(4) bond length is 2.04 Å. In the fourth Co site, Co(4) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(5), one O(7), and one F(5) atom. The Co(4)-O(1) bond length is 1.84 Å. The Co(4)-O(3) bond length is 1.87 Å. The Co(4)-O(5) bond length is 1.84 Å. The Co(4)-O(7) bond length is 1.84 Å. The Co(4)-F(5) bond length is 2.46 Å. In the fifth Co site, Co(5) is bonded to one O(1), one O(2), one O(5), one O(6), and one F(2) atom to form CoO4F square pyramids that share  a cornercorner with one Mg(1)O3F3 octahedra, corners with two equivalent Co(3)O3F3 octahedra, corners with three equivalent Co(2)O3F3 octahedra, and  an edgeedge with one Co(1)O4F trigonal bipyramid. The corner-sharing octahedral tilt angles range from 37-79°. The Co(5)-O(1) bond length is 1.90 Å. The Co(5)-O(2) bond length is 1.89 Å. The Co(5)-O(5) bond length is 1.90 Å. The Co(5)-O(6) bond length is 1.92 Å. The Co(5)-F(2) bond length is 2.15 Å. In the sixth Co site, Co(6) is bonded in a 6-coordinate geometry to one O(3), one O(4), one O(7), one F(2), one F(4), and one F(5) atom. The Co(6)-O(3) bond length is 2.04 Å. The Co(6)-O(4) bond length is 2.32 Å. The Co(6)-O(7) bond length is 1.90 Å. The Co(6)-F(2) bond length is 1.99 Å. The Co(6)-F(4) bond length is 2.23 Å. The Co(6)-F(5) bond length is 2.16 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(2), one Co(4), and one Co(5) 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(5) atom. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Mg(1), one Co(3), one Co(4), and one Co(6) atom. In the fourth O site, O(4) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(2), and one Co(6) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(4), and one Co(5) atom. In the sixth O site, O(6) is bonded in a trigonal pyramidal geometry to one Mg(1), one Co(1), one Co(3), 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(4), and one Co(6) atom. There are five inequivalent F sites. In the first F site, F(1) is bonded in a T-shaped geometry to one Mg(1), one Co(2), and one Co(3) atom. In the second F site, F(2) is bonded in a distorted trigonal planar geometry to one Co(2), one Co(5), and one Co(6) atom. In the third F site, F(3) is bonded in a water-like geometry to one Co(2) and one Co(3) atom. In the fourth F site, F(4) is bonded in a 3-coordinate geometry to one Mg(1), one Co(3), 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(1), one Co(4), and one Co(6) atom.