MgCo2P2(O4F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(4), one O(6), one O(7), one F(1), and one F(2) atom to form distorted MgO4F2 octahedra that share corners with two equivalent Co(1)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and faces with two equivalent Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-47°. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(5), one O(8), one F(1), and one F(2) atom to form CoO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Co(2)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-50°. In the second Co site, Co(2) is bonded to one O(3), one O(4), one O(6), one O(7), one F(1), and one F(2) atom to form CoO4F2 octahedra that share corners with two equivalent Co(1)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and faces with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 50°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Co(1)O4F2 octahedra, and corners with two equivalent Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 32-45°. In the second P site, P(2) 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)O4F2 octahedra, corners with two equivalent Co(1)O4F2 octahedra, and corners with two equivalent Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 32-45°. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Co(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Co(1) and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Co(2), and one P(2) 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(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Co(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Co(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(1), and one Co(2) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(1), and one Co(2) atom.
MgCo2P2(O4F)2 crystallizes in the triclinic P1 space group. Mg(1) is bonded to one O(3), one O(4), one O(6), one O(7), one F(1), and one F(2) atom to form distorted MgO4F2 octahedra that share corners with two equivalent Co(1)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and faces with two equivalent Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 46-47°. The Mg(1)-O(3) bond length is 2.05 Å. The Mg(1)-O(4) bond length is 2.11 Å. The Mg(1)-O(6) bond length is 2.05 Å. The Mg(1)-O(7) bond length is 2.10 Å. The Mg(1)-F(1) bond length is 2.02 Å. The Mg(1)-F(2) bond length is 2.02 Å. There are two inequivalent Co sites. In the first Co site, Co(1) is bonded to one O(1), one O(2), one O(5), one O(8), one F(1), and one F(2) atom to form CoO4F2 octahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Co(2)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-50°. The Co(1)-O(1) bond length is 1.88 Å. The Co(1)-O(2) bond length is 2.04 Å. The Co(1)-O(5) bond length is 2.04 Å. The Co(1)-O(8) bond length is 1.88 Å. The Co(1)-F(1) bond length is 2.10 Å. The Co(1)-F(2) bond length is 2.10 Å. In the second Co site, Co(2) is bonded to one O(3), one O(4), one O(6), one O(7), one F(1), and one F(2) atom to form CoO4F2 octahedra that share corners with two equivalent Co(1)O4F2 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and faces with two equivalent Mg(1)O4F2 octahedra. The corner-sharing octahedral tilt angles are 50°. The Co(2)-O(3) bond length is 1.99 Å. The Co(2)-O(4) bond length is 1.96 Å. The Co(2)-O(6) bond length is 1.99 Å. The Co(2)-O(7) bond length is 1.96 Å. The Co(2)-F(1) bond length is 2.03 Å. The Co(2)-F(2) bond length is 2.03 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mg(1)O4F2 octahedra, corners with two equivalent Co(1)O4F2 octahedra, and corners with two equivalent Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 32-45°. The P(1)-O(5) bond length is 1.52 Å. The P(1)-O(6) bond length is 1.57 Å. The P(1)-O(7) bond length is 1.57 Å. The P(1)-O(8) bond length is 1.55 Å. In the second P site, P(2) 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)O4F2 octahedra, corners with two equivalent Co(1)O4F2 octahedra, and corners with two equivalent Co(2)O4F2 octahedra. The corner-sharing octahedral tilt angles range from 32-45°. The P(2)-O(1) bond length is 1.55 Å. The P(2)-O(2) bond length is 1.51 Å. The P(2)-O(3) bond length is 1.57 Å. The P(2)-O(4) bond length is 1.57 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Co(1) and one P(2) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Co(1) and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mg(1), one Co(2), and one P(2) 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(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mg(1), one Co(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mg(1), one Co(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 150 degrees geometry to one Co(1) and one P(1) atom. There are two inequivalent F sites. In the first F site, F(1) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(1), and one Co(2) atom. In the second F site, F(2) is bonded in a distorted T-shaped geometry to one Mg(1), one Co(1), and one Co(2) atom.