Mn2PO5 crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Mn(4)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-31°. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(3), one O(5), one O(6), one O(8), and two equivalent O(10) atoms. In the fourth Mn site, Mn(4) is bonded to one O(6), one O(7), one O(8), one O(9), and two equivalent O(4) atoms to form distorted MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-31°. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(4)O6 octahedra, 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 45-50°. In the second P site, P(2) is bonded to one O(1), one O(10), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. There are ten 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(1), one Mn(2), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one P(1) atom. In the fourth O site, O(4) is bonded to one Mn(1), one Mn(2), and two equivalent Mn(4) atoms to form a mixture of distorted edge and corner-sharing OMn4 tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one P(1) atom. In the sixth O site, O(6) is bonded to one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom to form a mixture of distorted edge and corner-sharing OMn4 trigonal pyramids. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(4), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one P(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to two equivalent Mn(3) and one P(2) atom.
Mn2PO5 crystallizes in the triclinic P-1 space group. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form MnO6 octahedra that share corners with two equivalent Mn(4)O6 octahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Mn(4)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-31°. The Mn(1)-O(1) bond length is 2.25 Å. The Mn(1)-O(2) bond length is 2.20 Å. The Mn(1)-O(3) bond length is 2.21 Å. The Mn(1)-O(4) bond length is 2.08 Å. The Mn(1)-O(6) bond length is 2.13 Å. The Mn(1)-O(7) bond length is 2.12 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(4), one O(5), one O(6), and one O(9) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, edges with two equivalent Mn(1)O6 octahedra, and edges with two equivalent Mn(4)O6 octahedra. The Mn(2)-O(1) bond length is 1.98 Å. The Mn(2)-O(2) bond length is 1.99 Å. The Mn(2)-O(4) bond length is 1.89 Å. The Mn(2)-O(5) bond length is 2.25 Å. The Mn(2)-O(6) bond length is 1.92 Å. The Mn(2)-O(9) bond length is 2.28 Å. In the third Mn site, Mn(3) is bonded in a 6-coordinate geometry to one O(3), one O(5), one O(6), one O(8), and two equivalent O(10) atoms. The Mn(3)-O(3) bond length is 2.10 Å. The Mn(3)-O(5) bond length is 2.09 Å. The Mn(3)-O(6) bond length is 2.10 Å. The Mn(3)-O(8) bond length is 2.17 Å. There is one shorter (2.00 Å) and one longer (2.67 Å) Mn(3)-O(10) bond length. In the fourth Mn site, Mn(4) is bonded to one O(6), one O(7), one O(8), one O(9), and two equivalent O(4) atoms to form distorted MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra,  an edgeedge with one Mn(4)O6 octahedra, and edges with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 29-31°. The Mn(4)-O(6) bond length is 1.97 Å. The Mn(4)-O(7) bond length is 2.34 Å. The Mn(4)-O(8) bond length is 2.01 Å. The Mn(4)-O(9) bond length is 1.98 Å. There is one shorter (1.93 Å) and one longer (2.34 Å) Mn(4)-O(4) bond length. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(4)O6 octahedra, 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 45-50°. The P(1)-O(2) bond length is 1.56 Å. The P(1)-O(3) bond length is 1.53 Å. The P(1)-O(5) bond length is 1.52 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(10), one O(7), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and corners with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-52°. The P(2)-O(1) bond length is 1.57 Å. The P(2)-O(10) bond length is 1.52 Å. The P(2)-O(7) bond length is 1.52 Å. The P(2)-O(9) bond length is 1.55 Å. There are ten 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(1), one Mn(2), and one P(1) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(3), and one P(1) atom. In the fourth O site, O(4) is bonded to one Mn(1), one Mn(2), and two equivalent Mn(4) atoms to form a mixture of distorted edge and corner-sharing OMn4 tetrahedra. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(3), and one P(1) atom. In the sixth O site, O(6) is bonded to one Mn(1), one Mn(2), one Mn(3), and one Mn(4) atom to form a mixture of distorted edge and corner-sharing OMn4 trigonal pyramids. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(4), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Mn(3), one Mn(4), and one P(1) atom. In the ninth O site, O(9) is bonded in a 3-coordinate geometry to one Mn(2), one Mn(4), and one P(2) atom. In the tenth O site, O(10) is bonded in a distorted bent 120 degrees geometry to two equivalent Mn(3) and one P(2) atom.