MnPO4 crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted hexagonal planar geometry to two equivalent O(1), two equivalent O(10), and two equivalent O(8) atoms. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(10), and two equivalent O(8) atoms. In the third Mn site, Mn(3) is bonded to one O(11), one O(2), one O(3), one O(6), 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, corners with two equivalent P(3)O4 tetrahedra, and  a faceface with one Mn(4)O6 octahedra. In the fourth Mn site, Mn(4) is bonded to one O(12), one O(2), one O(4), 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, corners with two equivalent P(3)O4 tetrahedra, and  a faceface with one Mn(3)O6 octahedra. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(3)O6 octahedra and corners with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-50°. In the second P site, P(2) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mn(3)O6 octahedra and corners with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-51°. In the third P site, P(3) is bonded to one O(11), one O(12), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(3)O6 octahedra and corners with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-52°. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(3) atom.
MnPO4 crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a distorted hexagonal planar geometry to two equivalent O(1), two equivalent O(10), and two equivalent O(8) atoms. Both Mn(1)-O(1) bond lengths are 2.12 Å. Both Mn(1)-O(10) bond lengths are 2.48 Å. Both Mn(1)-O(8) bond lengths are 2.31 Å. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to two equivalent O(1), two equivalent O(10), and two equivalent O(8) atoms. Both Mn(2)-O(1) bond lengths are 2.55 Å. Both Mn(2)-O(10) bond lengths are 2.15 Å. Both Mn(2)-O(8) bond lengths are 2.30 Å. In the third Mn site, Mn(3) is bonded to one O(11), one O(2), one O(3), one O(6), 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, corners with two equivalent P(3)O4 tetrahedra, and  a faceface with one Mn(4)O6 octahedra. The Mn(3)-O(11) bond length is 1.99 Å. The Mn(3)-O(2) bond length is 2.28 Å. The Mn(3)-O(3) bond length is 1.90 Å. The Mn(3)-O(6) bond length is 1.91 Å. The Mn(3)-O(7) bond length is 2.04 Å. The Mn(3)-O(9) bond length is 1.98 Å. In the fourth Mn site, Mn(4) is bonded to one O(12), one O(2), one O(4), 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, corners with two equivalent P(3)O4 tetrahedra, and  a faceface with one Mn(3)O6 octahedra. The Mn(4)-O(12) bond length is 1.89 Å. The Mn(4)-O(2) bond length is 1.98 Å. The Mn(4)-O(4) bond length is 2.01 Å. The Mn(4)-O(5) bond length is 1.94 Å. The Mn(4)-O(7) bond length is 2.11 Å. The Mn(4)-O(9) bond length is 2.29 Å. There are three inequivalent P sites. In the first P site, P(1) is bonded to one O(10), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(3)O6 octahedra and corners with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 33-50°. The P(1)-O(10) bond length is 1.54 Å. The P(1)-O(3) bond length is 1.54 Å. The P(1)-O(4) bond length is 1.52 Å. The P(1)-O(7) bond length is 1.60 Å. In the second P site, P(2) is bonded to one O(1), one O(2), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with two equivalent Mn(3)O6 octahedra and corners with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 32-51°. The P(2)-O(1) bond length is 1.53 Å. The P(2)-O(2) bond length is 1.57 Å. The P(2)-O(5) bond length is 1.54 Å. The P(2)-O(6) bond length is 1.54 Å. In the third P site, P(3) is bonded to one O(11), one O(12), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(3)O6 octahedra and corners with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 34-52°. The P(3)-O(11) bond length is 1.54 Å. The P(3)-O(12) bond length is 1.54 Å. The P(3)-O(8) bond length is 1.54 Å. The P(3)-O(9) bond length is 1.57 Å. There are twelve inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one P(2) atom. In the third O site, O(3) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(2) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one P(1) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(3) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one P(3) atom. In the tenth O site, O(10) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the eleventh O site, O(11) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(3) atom. In the twelfth O site, O(12) is bonded in a bent 150 degrees geometry to one Mn(4) and one P(3) atom.