MgCo2Zn2(PO5)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, edges with two equivalent Zn(1)O4 tetrahedra, and faces with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-51°. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, edges with two equivalent Zn(1)O4 tetrahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form distorted ZnO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 66°. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and corners with three equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-50°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Co(2), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Co(1), one Zn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Co(1), one Zn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Co(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(2), and one Zn(1) atom.
MgCo2Zn2(PO5)2 crystallizes in the triclinic P-1 space group. Mg(1) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form MgO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, edges with two equivalent Zn(1)O4 tetrahedra, and faces with two equivalent Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 48°. Both Mg(1)-O(1) bond lengths are 2.15 Å. Both Mg(1)-O(4) bond lengths are 2.14 Å. Both Mg(1)-O(5) bond lengths are 2.08 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Zn(1)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-51°. Both Co(1)-O(2) bond lengths are 2.22 Å. Both Co(1)-O(3) bond lengths are 2.30 Å. Both Co(1)-O(5) bond lengths are 2.01 Å. In the second Co site, Co(2) is bonded to two equivalent O(1), two equivalent O(4), and two equivalent O(5) atoms to form CoO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, edges with two equivalent Zn(1)O4 tetrahedra, and faces with two equivalent Mg(1)O6 octahedra. The corner-sharing octahedral tilt angles are 51°. Both Co(2)-O(1) bond lengths are 2.22 Å. Both Co(2)-O(4) bond lengths are 2.17 Å. Both Co(2)-O(5) bond lengths are 2.06 Å. Zn(1) is bonded to one O(1), one O(2), one O(3), and one O(5) atom to form distorted ZnO4 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Mg(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, and  an edgeedge with one Co(2)O6 octahedra. The corner-sharing octahedral tilt angles are 66°. The Zn(1)-O(1) bond length is 2.20 Å. The Zn(1)-O(2) bond length is 1.98 Å. The Zn(1)-O(3) bond length is 1.98 Å. The Zn(1)-O(5) bond length is 1.89 Å. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, and corners with three equivalent Zn(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-50°. The P(1)-O(1) bond length is 1.57 Å. The P(1)-O(2) bond length is 1.56 Å. The P(1)-O(3) bond length is 1.56 Å. The P(1)-O(4) bond length is 1.55 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mg(1), one Co(2), one Zn(1), and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Co(1), one Zn(1), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Co(1), one Zn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mg(1), one Co(2), and one P(1) atom. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Mg(1), one Co(1), one Co(2), and one Zn(1) atom.