MgCo3O7 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing CoO5 trigonal bipyramids. In the second Co site, Co(2) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing CoO5 trigonal bipyramids. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Co(2) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one Mg(1) and one Co(1) atom. In the third O site, O(1) is bonded to one Mg(1), one Co(2), and two equivalent Co(1) atoms to form a mixture of distorted edge and corner-sharing OMgCo3 trigonal pyramids. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Co(2), and two equivalent Co(1) atoms.
MgCo3O7 crystallizes in the orthorhombic Pnma space group. Mg(1) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms. The Mg(1)-O(3) bond length is 2.12 Å. Both Mg(1)-O(1) bond lengths are 2.18 Å. Both Mg(1)-O(2) bond lengths are 2.51 Å. Both Mg(1)-O(4) bond lengths are 2.03 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(4), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing CoO5 trigonal bipyramids. The Co(1)-O(4) bond length is 1.67 Å. There is one shorter (1.95 Å) and one longer (1.96 Å) Co(1)-O(1) bond length. There is one shorter (1.93 Å) and one longer (1.94 Å) Co(1)-O(2) bond length. In the second Co site, Co(2) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form a mixture of distorted edge and corner-sharing CoO5 trigonal bipyramids. The Co(2)-O(3) bond length is 1.67 Å. Both Co(2)-O(1) bond lengths are 1.92 Å. Both Co(2)-O(2) bond lengths are 1.90 Å. There are four inequivalent O sites. In the first O site, O(3) is bonded in a distorted bent 120 degrees geometry to one Mg(1) and one Co(2) atom. In the second O site, O(4) is bonded in a bent 150 degrees geometry to one Mg(1) and one Co(1) atom. In the third O site, O(1) is bonded to one Mg(1), one Co(2), and two equivalent Co(1) atoms to form a mixture of distorted edge and corner-sharing OMgCo3 trigonal pyramids. In the fourth O site, O(2) is bonded in a 4-coordinate geometry to one Mg(1), one Co(2), and two equivalent Co(1) atoms.