MgCo2(VO4)2 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. There are two inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second V site, V(2) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(4) atoms. Co(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. There are four inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Mg(1) and one V(1) atom. In the second O site, O(2) is bonded to one Mg(1), one V(1), and two equivalent Co(1) atoms to form a mixture of distorted corner and face-sharing OMgVCo2 tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(2) and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(2) and one Co(1) atom.
MgCo2(VO4)2 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Mg(1)-O(1) bond lengths are 1.99 Å. Both Mg(1)-O(2) bond lengths are 1.96 Å. There are two inequivalent V sites. In the first V site, V(1) is bonded in a tetrahedral geometry to two equivalent O(1) and two equivalent O(2) atoms. Both V(1)-O(1) bond lengths are 1.69 Å. Both V(1)-O(2) bond lengths are 1.80 Å. In the second V site, V(2) is bonded in a tetrahedral geometry to two equivalent O(3) and two equivalent O(4) atoms. Both V(2)-O(3) bond lengths are 1.81 Å. Both V(2)-O(4) bond lengths are 1.72 Å. Co(1) is bonded in a 5-coordinate geometry to one O(4), two equivalent O(2), and two equivalent O(3) atoms. The Co(1)-O(4) bond length is 1.99 Å. Both Co(1)-O(2) bond lengths are 2.28 Å. Both Co(1)-O(3) bond lengths are 2.02 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Mg(1) and one V(1) atom. In the second O site, O(2) is bonded to one Mg(1), one V(1), and two equivalent Co(1) atoms to form a mixture of distorted corner and face-sharing OMgVCo2 tetrahedra. In the third O site, O(3) is bonded in a 3-coordinate geometry to one V(2) and two equivalent Co(1) atoms. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one V(2) and one Co(1) atom.