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), two equivalent O(2), and two equivalent O(3) atoms. P(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. There are four 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 to two equivalent Mn(1) and two equivalent Mn(2) atoms to form distorted corner-sharing OMn4 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar 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 two equivalent Mn(1) and one P(1) atom.
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 1.94 Å. Both Mn(1)-O(3) bond lengths are 1.99 Å. Both Mn(1)-O(4) bond lengths are 2.21 Å. In the second Mn site, Mn(2) is bonded in a 5-coordinate geometry to one O(1), two equivalent O(2), and two equivalent O(3) atoms. The Mn(2)-O(1) bond length is 1.99 Å. There is one shorter (2.06 Å) and one longer (2.45 Å) Mn(2)-O(2) bond length. Both Mn(2)-O(3) bond lengths are 2.08 Å. P(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-50°. The P(1)-O(1) bond length is 1.50 Å. The P(1)-O(4) bond length is 1.53 Å. Both P(1)-O(3) bond lengths are 1.56 Å. There are four 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 to two equivalent Mn(1) and two equivalent Mn(2) atoms to form distorted corner-sharing OMn4 trigonal pyramids. In the third O site, O(3) is bonded in a distorted trigonal planar 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 two equivalent Mn(1) and one P(1) atom.