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 two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-62°. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-62°. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, 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 36-47°. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Mn(3), and one Mn(4) 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(3), one Mn(4), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) 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 two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-62°. Both Mn(1)-O(1) bond lengths are 2.22 Å. Both Mn(1)-O(2) bond lengths are 2.19 Å. Both Mn(1)-O(5) bond lengths are 2.19 Å. In the second Mn site, Mn(2) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(5) atoms to form MnO6 octahedra that share corners with two equivalent Mn(3)O6 octahedra, corners with two equivalent Mn(4)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. Both Mn(2)-O(1) bond lengths are 1.95 Å. Both Mn(2)-O(2) bond lengths are 1.98 Å. Both Mn(2)-O(5) bond lengths are 2.30 Å. In the third Mn site, Mn(3) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Mn(4)O6 octahedra. The corner-sharing octahedral tilt angles range from 46-59°. Both Mn(3)-O(1) bond lengths are 1.95 Å. Both Mn(3)-O(3) bond lengths are 2.30 Å. Both Mn(3)-O(4) bond lengths are 1.98 Å. In the fourth Mn site, Mn(4) is bonded to two equivalent O(1), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, corners with four equivalent P(1)O4 tetrahedra, and faces with two equivalent Mn(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 59-62°. Both Mn(4)-O(1) bond lengths are 2.22 Å. Both Mn(4)-O(3) bond lengths are 2.19 Å. Both Mn(4)-O(4) bond lengths are 2.19 Å. P(1) is bonded to one O(2), one O(3), one O(4), and one O(5) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, 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 36-47°. The P(1)-O(2) bond length is 1.57 Å. The P(1)-O(3) bond length is 1.54 Å. The P(1)-O(4) bond length is 1.57 Å. The P(1)-O(5) bond length is 1.54 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to one Mn(1), one Mn(2), one Mn(3), and one Mn(4) 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(3), one Mn(4), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Mn(3), one Mn(4), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom.