Mn2Cu(PO4)3 crystallizes in the triclinic P-1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(12), one O(3), one O(5), one O(7), and one O(9) atom to form distorted MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(11), two equivalent O(3), and two equivalent O(7) atoms. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to two equivalent O(10), two equivalent O(6), and two equivalent O(8) atoms. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-48°. In the second P site, P(2) is bonded to one O(12), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-48°. In the third P site, P(3) is bonded to one O(10), one O(11), one O(2), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-51°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Cu(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(2), one Cu(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(1), one Cu(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mn(2), one Cu(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mn(2), one Cu(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mn(1), one Cu(1), and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom.
Mn2Cu(PO4)3 crystallizes in the triclinic P-1 space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(12), one O(3), one O(5), one O(7), and one O(9) atom to form distorted MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The Mn(1)-O(11) bond length is 2.30 Å. The Mn(1)-O(12) bond length is 2.06 Å. The Mn(1)-O(3) bond length is 1.98 Å. The Mn(1)-O(5) bond length is 1.90 Å. The Mn(1)-O(7) bond length is 1.95 Å. The Mn(1)-O(9) bond length is 1.92 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(10), one O(2), one O(4), one O(6), and one O(8) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The Mn(2)-O(1) bond length is 1.90 Å. The Mn(2)-O(10) bond length is 1.99 Å. The Mn(2)-O(2) bond length is 1.90 Å. The Mn(2)-O(4) bond length is 1.89 Å. The Mn(2)-O(6) bond length is 1.92 Å. The Mn(2)-O(8) bond length is 2.01 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to two equivalent O(11), two equivalent O(3), and two equivalent O(7) atoms. Both Cu(1)-O(11) bond lengths are 2.01 Å. Both Cu(1)-O(3) bond lengths are 2.20 Å. Both Cu(1)-O(7) bond lengths are 2.27 Å. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to two equivalent O(10), two equivalent O(6), and two equivalent O(8) atoms. Both Cu(2)-O(10) bond lengths are 2.18 Å. Both Cu(2)-O(6) bond lengths are 2.41 Å. Both Cu(2)-O(8) bond lengths are 2.06 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 26-48°. The P(1)-O(1) bond length is 1.53 Å. The P(1)-O(3) bond length is 1.56 Å. The P(1)-O(5) bond length is 1.52 Å. The P(1)-O(6) bond length is 1.56 Å. In the second P site, P(2) is bonded to one O(12), one O(4), one O(7), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-48°. The P(2)-O(12) bond length is 1.51 Å. The P(2)-O(4) bond length is 1.53 Å. The P(2)-O(7) bond length is 1.56 Å. The P(2)-O(8) bond length is 1.59 Å. In the third P site, P(3) is bonded to one O(10), one O(11), one O(2), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra and corners with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 24-51°. The P(3)-O(10) bond length is 1.59 Å. The P(3)-O(11) bond length is 1.55 Å. The P(3)-O(2) bond length is 1.53 Å. The P(3)-O(9) bond length is 1.52 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Cu(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a 3-coordinate geometry to one Mn(2), one Cu(2), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(1), one Cu(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mn(2), one Cu(2), and one P(2) atom. In the ninth O site, O(9) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mn(2), one Cu(2), and one P(3) atom. In the eleventh O site, O(11) is bonded in a 3-coordinate geometry to one Mn(1), one Cu(1), and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom.