MgCr(CoO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(4), and two equivalent O(6) atoms. Cr(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form CrO6 octahedra that share edges with two equivalent Cr(1)O6 octahedra and edges with two equivalent Co(2)O6 octahedra. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(6) atoms. In the second Co site, Co(2) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share edges with two equivalent Cr(1)O6 octahedra and edges with two equivalent Co(2)O6 octahedra. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), two equivalent Cr(1), and one Co(2) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Co(1) and two equivalent Co(2) atoms. In the fourth O site, O(4) is bonded to one Mg(1), two equivalent Cr(1), and one Co(1) atom to form corner-sharing OMgCr2Co trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1) and two equivalent Co(2) atoms. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Co(2), and two equivalent Co(1) atoms.
MgCr(CoO3)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded in a rectangular see-saw-like geometry to one O(2), one O(4), and two equivalent O(6) atoms. The Mg(1)-O(2) bond length is 1.97 Å. The Mg(1)-O(4) bond length is 2.05 Å. Both Mg(1)-O(6) bond lengths are 1.99 Å. Cr(1) is bonded to one O(1), one O(5), two equivalent O(2), and two equivalent O(4) atoms to form CrO6 octahedra that share edges with two equivalent Cr(1)O6 octahedra and edges with two equivalent Co(2)O6 octahedra. The Cr(1)-O(1) bond length is 2.01 Å. The Cr(1)-O(5) bond length is 2.00 Å. Both Cr(1)-O(2) bond lengths are 2.04 Å. Both Cr(1)-O(4) bond lengths are 2.02 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(6) atoms. The Co(1)-O(3) bond length is 1.87 Å. The Co(1)-O(4) bond length is 2.05 Å. There is one shorter (1.91 Å) and one longer (1.92 Å) Co(1)-O(1) bond length. There is one shorter (2.34 Å) and one longer (2.35 Å) Co(1)-O(6) bond length. In the second Co site, Co(2) is bonded to one O(2), one O(6), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share edges with two equivalent Cr(1)O6 octahedra and edges with two equivalent Co(2)O6 octahedra. The Co(2)-O(2) bond length is 1.90 Å. The Co(2)-O(6) bond length is 1.87 Å. Both Co(2)-O(3) bond lengths are 1.96 Å. There is one shorter (1.93 Å) and one longer (1.94 Å) Co(2)-O(5) bond length. There are six inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1) and two equivalent Co(1) atoms. In the second O site, O(2) is bonded in a distorted rectangular see-saw-like geometry to one Mg(1), two equivalent Cr(1), and one Co(2) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Co(1) and two equivalent Co(2) atoms. In the fourth O site, O(4) is bonded to one Mg(1), two equivalent Cr(1), and one Co(1) atom to form corner-sharing OMgCr2Co trigonal pyramids. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Cr(1) and two equivalent Co(2) atoms. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to two equivalent Mg(1), one Co(2), and two equivalent Co(1) atoms.