LiMn2(P2O7)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(10), one O(11), one O(4), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 69-73°. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(12), one O(13), one O(2), one O(4), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Mn(2)O6 octahedra. In the second Mn site, Mn(2) is bonded to one O(11), one O(13), one O(14), one O(2), one O(3), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 11-59°. In the second P site, P(2) is bonded to one O(10), one O(11), one O(3), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-60°. In the third P site, P(3) is bonded to one O(12), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 9-58°. In the fourth P site, P(4) is bonded to one O(13), one O(14), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-60°. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) 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 bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(3) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one P(3) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Mn(1) and one P(4) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one P(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Mn(2) and one P(1) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one Li(1) and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one Mn(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(4) atom.
LiMn2(P2O7)2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(10), one O(11), one O(4), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O6 octahedra,  a cornercorner with one Mn(2)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 69-73°. The Li(1)-O(10) bond length is 2.05 Å. The Li(1)-O(11) bond length is 2.08 Å. The Li(1)-O(4) bond length is 2.11 Å. The Li(1)-O(8) bond length is 2.42 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(12), one O(13), one O(2), one O(4), and one O(6) atom to form MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Mn(2)O6 octahedra. The Mn(1)-O(1) bond length is 1.93 Å. The Mn(1)-O(12) bond length is 1.91 Å. The Mn(1)-O(13) bond length is 2.45 Å. The Mn(1)-O(2) bond length is 1.96 Å. The Mn(1)-O(4) bond length is 2.21 Å. The Mn(1)-O(6) bond length is 1.89 Å. In the second Mn site, Mn(2) is bonded to one O(11), one O(13), one O(14), one O(2), one O(3), and one O(9) atom to form distorted MnO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The Mn(2)-O(11) bond length is 2.20 Å. The Mn(2)-O(13) bond length is 1.97 Å. The Mn(2)-O(14) bond length is 1.91 Å. The Mn(2)-O(2) bond length is 2.43 Å. The Mn(2)-O(3) bond length is 1.91 Å. The Mn(2)-O(9) bond length is 1.92 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(8), and one O(9) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, and  a cornercorner with one P(3)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 11-59°. The P(1)-O(1) bond length is 1.53 Å. The P(1)-O(2) bond length is 1.55 Å. The P(1)-O(8) bond length is 1.61 Å. The P(1)-O(9) bond length is 1.51 Å. In the second P site, P(2) is bonded to one O(10), one O(11), one O(3), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 24-60°. The P(2)-O(10) bond length is 1.52 Å. The P(2)-O(11) bond length is 1.54 Å. The P(2)-O(3) bond length is 1.53 Å. The P(2)-O(7) bond length is 1.63 Å. In the third P site, P(3) is bonded to one O(12), one O(4), one O(5), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra,  a cornercorner with one P(1)O4 tetrahedra, and corners with two equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 9-58°. The P(3)-O(12) bond length is 1.51 Å. The P(3)-O(4) bond length is 1.54 Å. The P(3)-O(5) bond length is 1.52 Å. The P(3)-O(8) bond length is 1.65 Å. In the fourth P site, P(4) is bonded to one O(13), one O(14), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with two equivalent Mn(2)O6 octahedra, and  a cornercorner with one P(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 18-60°. The P(4)-O(13) bond length is 1.56 Å. The P(4)-O(14) bond length is 1.52 Å. The P(4)-O(6) bond length is 1.52 Å. The P(4)-O(7) bond length is 1.59 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) 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 bent 150 degrees geometry to one Mn(2) and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(3) atom. In the fifth O site, O(5) is bonded in a single-bond geometry to one P(3) atom. In the sixth O site, O(6) is bonded in a linear geometry to one Mn(1) and one P(4) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one P(1), and one P(3) atom. In the ninth O site, O(9) is bonded in a linear geometry to one Mn(2) and one P(1) atom. In the tenth O site, O(10) is bonded in a water-like geometry to one Li(1) and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(2) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one Mn(1) and one P(3) atom. In the thirteenth O site, O(13) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(4) atom. In the fourteenth O site, O(14) is bonded in a bent 150 degrees geometry to one Mn(2) and one P(4) atom.