Mn2PO5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form 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 5-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(2) atoms. P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Mn(2) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mn(2), two equivalent Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms.
Mn2PO5 crystallizes in the orthorhombic Pnma space group. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent P(1)O4 tetrahedra and edges with two equivalent Mn(1)O6 octahedra. Both Mn(1)-O(2) bond lengths are 2.05 Å. Both Mn(1)-O(3) bond lengths are 2.15 Å. Both Mn(1)-O(4) bond lengths are 1.91 Å. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(2) atoms. The Mn(2)-O(1) bond length is 1.99 Å. The Mn(2)-O(3) bond length is 2.62 Å. The Mn(2)-O(4) bond length is 2.01 Å. Both Mn(2)-O(2) bond lengths are 2.09 Å. P(1) is bonded to one O(1), one O(3), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. The P(1)-O(1) bond length is 1.50 Å. The P(1)-O(3) bond length is 1.55 Å. Both P(1)-O(2) bond lengths are 1.54 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Mn(2) and one P(1) atom. In the second O site, O(2) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Mn(2), two equivalent Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(2) and two equivalent Mn(1) atoms.