LiMnP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a distorted trigonal planar geometry to one O(3), one O(6), and one O(7) atom. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form distorted MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-47°. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-49°. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom.
LiMnP2O7 crystallizes in the monoclinic P2_1/c space group. Li(1) is bonded in a distorted trigonal planar geometry to one O(3), one O(6), and one O(7) atom. The Li(1)-O(3) bond length is 1.95 Å. The Li(1)-O(6) bond length is 1.97 Å. The Li(1)-O(7) bond length is 2.02 Å. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(5), one O(6), and one O(7) atom to form distorted MnO6 octahedra that share corners with three equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. The Mn(1)-O(1) bond length is 1.97 Å. The Mn(1)-O(2) bond length is 1.91 Å. The Mn(1)-O(3) bond length is 2.43 Å. The Mn(1)-O(5) bond length is 2.07 Å. The Mn(1)-O(6) bond length is 1.94 Å. The Mn(1)-O(7) bond length is 2.07 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 33-47°. The P(1)-O(1) bond length is 1.53 Å. The P(1)-O(4) bond length is 1.62 Å. The P(1)-O(5) bond length is 1.49 Å. The P(1)-O(6) bond length is 1.56 Å. In the second P site, P(2) is bonded to one O(2), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Mn(1)O6 octahedra and  a cornercorner with one P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 27-49°. The P(2)-O(2) bond length is 1.52 Å. The P(2)-O(3) bond length is 1.52 Å. The P(2)-O(4) bond length is 1.60 Å. The P(2)-O(7) bond length is 1.56 Å. There are seven inequivalent O sites. In the first O site, O(1) is bonded in a distorted bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the third O site, O(3) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(2) atom. In the fourth O site, O(4) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the fifth O site, O(5) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the sixth O site, O(6) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom.