MgCo2(PO4)2 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. Co(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent Co(1)O6 octahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. In the second P site, P(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Co(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Co(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(2) atom.
MgCo2(PO4)2 crystallizes in the orthorhombic Amm2 space group. Mg(1) is bonded in a 4-coordinate geometry to two equivalent O(2) and two equivalent O(3) atoms. Both Mg(1)-O(2) bond lengths are 2.00 Å. Both Mg(1)-O(3) bond lengths are 2.12 Å. Co(1) is bonded to one O(2), one O(4), two equivalent O(1), and two equivalent O(3) atoms to form CoO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra, and edges with two equivalent Co(1)O6 octahedra. The Co(1)-O(2) bond length is 2.07 Å. The Co(1)-O(4) bond length is 1.99 Å. Both Co(1)-O(1) bond lengths are 2.10 Å. Both Co(1)-O(3) bond lengths are 2.29 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-50°. Both P(1)-O(1) bond lengths are 1.55 Å. Both P(1)-O(2) bond lengths are 1.57 Å. In the second P site, P(2) is bonded to two equivalent O(3) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 44-54°. Both P(2)-O(3) bond lengths are 1.60 Å. Both P(2)-O(4) bond lengths are 1.51 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Co(1) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mg(1), one Co(1), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mg(1), two equivalent Co(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a distorted bent 150 degrees geometry to one Co(1) and one P(2) atom.