Mn2PO5 crystallizes in the monoclinic C2/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form distorted MnO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra and edges with two equivalent Mn(1)O6 octahedra. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms. 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 four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-63°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(2) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) 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(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the fifth O site, O(5) is bonded to two equivalent Mn(1) and two equivalent Mn(2) atoms to form distorted edge-sharing OMn4 tetrahedra.
Mn2PO5 crystallizes in the monoclinic C2/c space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), one O(4), two equivalent O(2), and two equivalent O(5) atoms to form distorted MnO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra and edges with two equivalent Mn(1)O6 octahedra. The Mn(1)-O(3) bond length is 2.18 Å. The Mn(1)-O(4) bond length is 2.02 Å. There is one shorter (2.14 Å) and one longer (2.21 Å) Mn(1)-O(2) bond length. There is one shorter (1.89 Å) and one longer (2.04 Å) Mn(1)-O(5) bond length. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(5) atoms. The Mn(2)-O(3) bond length is 2.12 Å. The Mn(2)-O(4) bond length is 2.17 Å. There is one shorter (2.11 Å) and one longer (2.29 Å) Mn(2)-O(1) bond length. There is one shorter (2.00 Å) and one longer (2.35 Å) Mn(2)-O(5) bond length. 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 four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 39-63°. The P(1)-O(1) bond length is 1.52 Å. The P(1)-O(2) bond length is 1.53 Å. The P(1)-O(3) bond length is 1.54 Å. The P(1)-O(4) bond length is 1.54 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar geometry to two equivalent Mn(2) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) 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(2), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the fifth O site, O(5) is bonded to two equivalent Mn(1) and two equivalent Mn(2) atoms to form distorted edge-sharing OMn4 tetrahedra.