MgCo6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(3), one O(4), one F(1), one F(2), and one F(5) atom to form MgO3F3 octahedra that share  a cornercorner with one Co(3)O3F3 octahedra, corners with two equivalent Co(6)O2F4 octahedra,  a cornercorner with one Co(1)O4F square pyramid,  an edgeedge with one Co(4)O5 square pyramid, and  a faceface with one Co(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(5), one O(6), one O(7), and one F(4) 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(6)O2F4 octahedra, and  an edgeedge with one Co(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 33-78°. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one F(1), one F(2), and one F(4) atom. In the third Co site, Co(3) is bonded to one O(2), one O(3), one O(5), one F(1), one F(3), and one F(5) atom to form CoO3F3 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra,  a cornercorner with one Co(4)O5 square pyramid, corners with two equivalent Co(1)O4F square pyramids,  an edgeedge with one Co(6)O2F4 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles are 50°. In the fourth Co site, Co(4) is bonded to one O(1), one O(3), one O(4), one O(6), and one O(7) atom to form CoO5 square pyramids that share  a cornercorner with one Co(3)O3F3 octahedra, corners with two equivalent Co(6)O2F4 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra, and  an edgeedge with one Co(1)O4F square pyramid. The corner-sharing octahedral tilt angles range from 36-52°. In the fifth Co site, Co(5) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one F(2), and one F(5) atom. In the sixth Co site, Co(6) is bonded to one O(6), one O(7), one F(2), one F(3), one F(4), and one F(5) atom to form CoO2F4 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with two equivalent Co(4)O5 square pyramids, corners with three equivalent Co(1)O4F square pyramids, and  an edgeedge with one Co(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(5) atom. In the second O site, O(2) is bonded to one Mg(1), one Co(1), one Co(3), and one Co(5) atom to form corner-sharing OMgCo3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Mg(1), one Co(2), one Co(3), and one Co(4) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Co(2), one Co(4), and one Co(5) atom to form corner-sharing OMgCo3 trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(5) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(6) atom. In the seventh O site, O(7) is bonded in a distorted 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 3-coordinate 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 rectangular see-saw-like geometry to one Mg(1), one Co(2), one Co(5), and one Co(6) atom. In the third F site, F(3) is bonded in an L-shaped geometry to one Co(3) and one Co(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(6) atom. In the fifth F site, F(5) 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.
MgCo6O7F5 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(2), one O(3), one O(4), one F(1), one F(2), and one F(5) atom to form MgO3F3 octahedra that share  a cornercorner with one Co(3)O3F3 octahedra, corners with two equivalent Co(6)O2F4 octahedra,  a cornercorner with one Co(1)O4F square pyramid,  an edgeedge with one Co(4)O5 square pyramid, and  a faceface with one Co(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-50°. The Mg(1)-O(2) bond length is 2.00 Å. The Mg(1)-O(3) bond length is 2.07 Å. The Mg(1)-O(4) bond length is 2.01 Å. The Mg(1)-F(1) bond length is 1.96 Å. The Mg(1)-F(2) bond length is 1.98 Å. The Mg(1)-F(5) bond length is 2.04 Å. There are six inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(2), one O(5), one O(6), one O(7), and one F(4) 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(6)O2F4 octahedra, and  an edgeedge with one Co(4)O5 square pyramid. The corner-sharing octahedral tilt angles range from 33-78°. The Co(1)-O(2) bond length is 1.94 Å. The Co(1)-O(5) bond length is 1.93 Å. The Co(1)-O(6) bond length is 1.86 Å. The Co(1)-O(7) bond length is 1.89 Å. The Co(1)-F(4) bond length is 2.12 Å. In the second Co site, Co(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one F(1), one F(2), and one F(4) atom. The Co(2)-O(1) bond length is 1.95 Å. The Co(2)-O(3) bond length is 1.94 Å. The Co(2)-O(4) bond length is 2.10 Å. The Co(2)-F(1) bond length is 2.34 Å. The Co(2)-F(2) bond length is 2.42 Å. The Co(2)-F(4) bond length is 1.97 Å. In the third Co site, Co(3) is bonded to one O(2), one O(3), one O(5), one F(1), one F(3), and one F(5) atom to form CoO3F3 octahedra that share  a cornercorner with one Mg(1)O3F3 octahedra,  a cornercorner with one Co(4)O5 square pyramid, corners with two equivalent Co(1)O4F square pyramids,  an edgeedge with one Co(6)O2F4 octahedra, and  a faceface with one Mg(1)O3F3 octahedra. The corner-sharing octahedral tilt angles are 50°. The Co(3)-O(2) bond length is 2.13 Å. The Co(3)-O(3) bond length is 2.05 Å. The Co(3)-O(5) bond length is 1.82 Å. The Co(3)-F(1) bond length is 2.00 Å. The Co(3)-F(3) bond length is 1.94 Å. The Co(3)-F(5) bond length is 2.08 Å. In the fourth Co site, Co(4) is bonded to one O(1), one O(3), one O(4), one O(6), and one O(7) atom to form CoO5 square pyramids that share  a cornercorner with one Co(3)O3F3 octahedra, corners with two equivalent Co(6)O2F4 octahedra,  an edgeedge with one Mg(1)O3F3 octahedra, and  an edgeedge with one Co(1)O4F square pyramid. The corner-sharing octahedral tilt angles range from 36-52°. The Co(4)-O(1) bond length is 1.87 Å. The Co(4)-O(3) bond length is 2.00 Å. The Co(4)-O(4) bond length is 1.97 Å. The Co(4)-O(6) bond length is 1.87 Å. The Co(4)-O(7) bond length is 1.83 Å. In the fifth Co site, Co(5) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(4), one O(5), one F(2), and one F(5) atom. The Co(5)-O(1) bond length is 1.87 Å. The Co(5)-O(2) bond length is 1.92 Å. The Co(5)-O(4) bond length is 1.89 Å. The Co(5)-O(5) bond length is 1.90 Å. The Co(5)-F(2) bond length is 2.33 Å. The Co(5)-F(5) bond length is 2.60 Å. In the sixth Co site, Co(6) is bonded to one O(6), one O(7), one F(2), one F(3), one F(4), and one F(5) atom to form CoO2F4 octahedra that share corners with two equivalent Mg(1)O3F3 octahedra, corners with two equivalent Co(4)O5 square pyramids, corners with three equivalent Co(1)O4F square pyramids, and  an edgeedge with one Co(3)O3F3 octahedra. The corner-sharing octahedral tilt angles range from 46-49°. The Co(6)-O(6) bond length is 1.99 Å. The Co(6)-O(7) bond length is 2.01 Å. The Co(6)-F(2) bond length is 2.09 Å. The Co(6)-F(3) bond length is 2.01 Å. The Co(6)-F(4) bond length is 2.08 Å. The Co(6)-F(5) bond length is 2.13 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Co(2), one Co(4), and one Co(5) atom. In the second O site, O(2) is bonded to one Mg(1), one Co(1), one Co(3), and one Co(5) atom to form corner-sharing OMgCo3 trigonal pyramids. In the third O site, O(3) is bonded in a distorted see-saw-like geometry to one Mg(1), one Co(2), one Co(3), and one Co(4) atom. In the fourth O site, O(4) is bonded to one Mg(1), one Co(2), one Co(4), and one Co(5) atom to form corner-sharing OMgCo3 trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Co(1), one Co(3), and one Co(5) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Co(1), one Co(4), and one Co(6) atom. In the seventh O site, O(7) is bonded in a distorted 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 3-coordinate 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 rectangular see-saw-like geometry to one Mg(1), one Co(2), one Co(5), and one Co(6) atom. In the third F site, F(3) is bonded in an L-shaped geometry to one Co(3) and one Co(6) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Co(1), one Co(2), and one Co(6) atom. In the fifth F site, F(5) 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.