MgV3CoO8 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a see-saw-like geometry to one O(7), one O(8), and two equivalent O(3) atoms. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(8) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Co(1)O5 trigonal bipyramid,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and edges with two equivalent Co(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 17-27°. In the second V site, V(2) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Co(1)O5 trigonal bipyramids,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-27°. In the third V site, V(3) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(7) atoms to form VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Co(1)O5 trigonal bipyramids,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-26°. Co(1) is bonded to one O(5), one O(6), one O(8), and two equivalent O(2) atoms to form distorted CoO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Co(1)O5 trigonal bipyramids, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-74°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(2) atoms. In the second O site, O(2) is bonded to one V(1), one V(3), and two equivalent Co(1) atoms to form corner-sharing OV2Co2 tetrahedra. In the third O site, O(3) is bonded in a square co-planar geometry to two equivalent Mg(1), one V(1), and one V(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one Co(1) atom. In the sixth O site, O(6) is bonded in a linear geometry to one V(2) and one Co(1) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Mg(1), one V(2), and two equivalent V(3) atoms. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Mg(1), two equivalent V(1), and one Co(1) atom.
MgV3CoO8 crystallizes in the monoclinic Cm space group. Mg(1) is bonded in a see-saw-like geometry to one O(7), one O(8), and two equivalent O(3) atoms. The Mg(1)-O(7) bond length is 2.07 Å. The Mg(1)-O(8) bond length is 1.98 Å. Both Mg(1)-O(3) bond lengths are 1.95 Å. There are three inequivalent V sites. In the first V site, V(1) is bonded to one O(2), one O(3), one O(4), one O(5), and two equivalent O(8) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(1)O6 octahedra,  a cornercorner with one Co(1)O5 trigonal bipyramid,  an edgeedge with one V(2)O6 octahedra,  an edgeedge with one V(3)O6 octahedra, and edges with two equivalent Co(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 17-27°. The V(1)-O(2) bond length is 2.08 Å. The V(1)-O(3) bond length is 2.09 Å. The V(1)-O(4) bond length is 2.07 Å. The V(1)-O(5) bond length is 1.76 Å. Both V(1)-O(8) bond lengths are 1.98 Å. In the second V site, V(2) is bonded to one O(4), one O(5), one O(6), one O(7), and two equivalent O(1) atoms to form distorted VO6 octahedra that share  a cornercorner with one V(3)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent Co(1)O5 trigonal bipyramids,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent V(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-27°. The V(2)-O(4) bond length is 1.92 Å. The V(2)-O(5) bond length is 2.24 Å. The V(2)-O(6) bond length is 1.70 Å. The V(2)-O(7) bond length is 2.15 Å. Both V(2)-O(1) bond lengths are 1.98 Å. In the third V site, V(3) is bonded to one O(1), one O(2), one O(3), one O(4), and two equivalent O(7) atoms to form VO6 octahedra that share  a cornercorner with one V(1)O6 octahedra,  a cornercorner with one V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Co(1)O5 trigonal bipyramids,  an edgeedge with one V(1)O6 octahedra, and edges with two equivalent V(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 17-26°. The V(3)-O(1) bond length is 2.00 Å. The V(3)-O(2) bond length is 1.94 Å. The V(3)-O(3) bond length is 2.14 Å. The V(3)-O(4) bond length is 1.90 Å. Both V(3)-O(7) bond lengths are 1.96 Å. Co(1) is bonded to one O(5), one O(6), one O(8), and two equivalent O(2) atoms to form distorted CoO5 trigonal bipyramids that share  a cornercorner with one V(1)O6 octahedra, corners with two equivalent V(2)O6 octahedra, corners with two equivalent V(3)O6 octahedra, corners with two equivalent Co(1)O5 trigonal bipyramids, and edges with two equivalent V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 16-74°. The Co(1)-O(5) bond length is 1.98 Å. The Co(1)-O(6) bond length is 1.96 Å. The Co(1)-O(8) bond length is 2.17 Å. Both Co(1)-O(2) bond lengths are 2.07 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a distorted T-shaped geometry to one V(3) and two equivalent V(2) atoms. In the second O site, O(2) is bonded to one V(1), one V(3), and two equivalent Co(1) atoms to form corner-sharing OV2Co2 tetrahedra. In the third O site, O(3) is bonded in a square co-planar geometry to two equivalent Mg(1), one V(1), and one V(3) atom. In the fourth O site, O(4) is bonded in a distorted T-shaped geometry to one V(1), one V(2), and one V(3) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one V(1), one V(2), and one Co(1) atom. In the sixth O site, O(6) is bonded in a linear geometry to one V(2) and one Co(1) atom. In the seventh O site, O(7) is bonded in a distorted see-saw-like geometry to one Mg(1), one V(2), and two equivalent V(3) atoms. In the eighth O site, O(8) is bonded in a distorted see-saw-like geometry to one Mg(1), two equivalent V(1), and one Co(1) atom.