LiMnP2O7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded to one O(2), one O(5), one O(6), one O(8), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 68°. Mn(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(6), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with four equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 58°. In the second P site, P(2) is bonded to one O(3), one O(4), and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 38-50°. In the third P site, P(3) is bonded to one O(10), one O(7), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-48°. In the fourth P site, P(4) is bonded to one O(10), one O(9), and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with four equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 58°. There are ten inequivalent O sites. In the first O site, O(9) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one P(4) atom. In the second O site, O(10) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one P(2) atom. In the seventh O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(2) atom. In the eighth O site, O(6) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one P(1) atom. In the ninth O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(3) atom. In the tenth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(4) atom.
LiMnP2O7 crystallizes in the monoclinic P2_1/m space group. Li(1) is bonded to one O(2), one O(5), one O(6), one O(8), and one O(9) atom to form distorted LiO5 trigonal bipyramids that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The corner-sharing octahedral tilt angles are 68°. The Li(1)-O(2) bond length is 2.48 Å. The Li(1)-O(5) bond length is 2.40 Å. The Li(1)-O(6) bond length is 2.02 Å. The Li(1)-O(8) bond length is 2.31 Å. The Li(1)-O(9) bond length is 1.99 Å. Mn(1) is bonded to one O(1), one O(2), one O(4), one O(5), one O(7), and one O(8) atom to form MnO6 octahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Li(1)O5 trigonal bipyramid,  an edgeedge with one Mn(1)O6 octahedra, and  an edgeedge with one Li(1)O5 trigonal bipyramid. The Mn(1)-O(1) bond length is 1.97 Å. The Mn(1)-O(2) bond length is 1.97 Å. The Mn(1)-O(4) bond length is 2.06 Å. The Mn(1)-O(5) bond length is 2.10 Å. The Mn(1)-O(7) bond length is 2.16 Å. The Mn(1)-O(8) bond length is 1.97 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(3), one O(6), and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(2)O4 tetrahedra, and corners with four equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 58°. The P(1)-O(3) bond length is 1.61 Å. The P(1)-O(6) bond length is 1.50 Å. Both P(1)-O(2) bond lengths are 1.57 Å. In the second P site, P(2) is bonded to one O(3), one O(4), and two equivalent O(5) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles range from 38-50°. The P(2)-O(3) bond length is 1.60 Å. The P(2)-O(4) bond length is 1.59 Å. Both P(2)-O(5) bond lengths are 1.51 Å. In the third P site, P(3) is bonded to one O(10), one O(7), and two equivalent O(1) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra and  a cornercorner with one P(4)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 29-48°. The P(3)-O(10) bond length is 1.60 Å. The P(3)-O(7) bond length is 1.54 Å. Both P(3)-O(1) bond lengths are 1.52 Å. In the fourth P site, P(4) is bonded to one O(10), one O(9), and two equivalent O(8) atoms to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(3)O4 tetrahedra, and corners with four equivalent Li(1)O5 trigonal bipyramids. The corner-sharing octahedral tilt angles are 58°. The P(4)-O(10) bond length is 1.60 Å. The P(4)-O(9) bond length is 1.50 Å. Both P(4)-O(8) bond lengths are 1.57 Å. There are ten inequivalent O sites. In the first O site, O(9) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one P(4) atom. In the second O site, O(10) is bonded in a bent 150 degrees geometry to one P(3) and one P(4) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(3) atom. In the fourth O site, O(2) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the fifth O site, O(3) is bonded in a bent 150 degrees geometry to one P(1) and one P(2) atom. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to two equivalent Mn(1) and one P(2) atom. In the seventh O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(2) atom. In the eighth O site, O(6) is bonded in a distorted T-shaped geometry to two equivalent Li(1) and one P(1) atom. In the ninth O site, O(7) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(3) atom. In the tenth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(4) atom.