Li2MnP2O7 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent Li(3)O4 trigonal pyramids. In the second Li site, Li(2) is bonded to one O(10), one O(5), one O(6), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent Li(4)O4 trigonal pyramids. In the third Li site, Li(3) is bonded to one O(11), one O(12), one O(3), and one O(4) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent Li(1)O4 trigonal pyramids. In the fourth Li site, Li(4) is bonded to one O(13), one O(14), one O(5), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent Li(2)O4 trigonal pyramids. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square co-planar geometry to one O(10), one O(11), one O(12), and one O(9) atom. In the second Mn site, Mn(2) is bonded in a square co-planar geometry to one O(13), one O(14), one O(7), and one O(8) atom. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(14), one O(4), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Li(3)O4 trigonal pyramid, and  a cornercorner with one Li(4)O4 trigonal pyramid. In the second P site, P(2) is bonded to one O(10), one O(13), one O(2), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Li(3)O4 trigonal pyramid, and  a cornercorner with one Li(4)O4 trigonal pyramid. In the third P site, P(3) is bonded to one O(1), one O(11), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Li(3)O4 trigonal pyramid, and  a cornercorner with one Li(4)O4 trigonal pyramid. In the fourth P site, P(4) is bonded to one O(12), one O(2), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Li(3)O4 trigonal pyramid, and  a cornercorner with one Li(4)O4 trigonal pyramid. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(3), and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Li(2), one Li(4), and one P(4) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Li(2), one Li(4), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(1), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(2), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(2), and one P(1) atom.
Li2MnP2O7 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(3), one O(4), one O(7), and one O(8) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent Li(3)O4 trigonal pyramids. The Li(1)-O(3) bond length is 2.06 Å. The Li(1)-O(4) bond length is 2.05 Å. The Li(1)-O(7) bond length is 2.08 Å. The Li(1)-O(8) bond length is 2.09 Å. In the second Li site, Li(2) is bonded to one O(10), one O(5), one O(6), and one O(9) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent Li(4)O4 trigonal pyramids. The Li(2)-O(10) bond length is 2.09 Å. The Li(2)-O(5) bond length is 2.05 Å. The Li(2)-O(6) bond length is 2.05 Å. The Li(2)-O(9) bond length is 2.09 Å. In the third Li site, Li(3) is bonded to one O(11), one O(12), one O(3), and one O(4) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent Li(1)O4 trigonal pyramids. The Li(3)-O(11) bond length is 2.09 Å. The Li(3)-O(12) bond length is 2.09 Å. The Li(3)-O(3) bond length is 2.06 Å. The Li(3)-O(4) bond length is 2.06 Å. In the fourth Li site, Li(4) is bonded to one O(13), one O(14), one O(5), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent Li(2)O4 trigonal pyramids. The Li(4)-O(13) bond length is 2.09 Å. The Li(4)-O(14) bond length is 2.09 Å. The Li(4)-O(5) bond length is 2.06 Å. The Li(4)-O(6) bond length is 2.06 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a square co-planar geometry to one O(10), one O(11), one O(12), and one O(9) atom. The Mn(1)-O(10) bond length is 2.07 Å. The Mn(1)-O(11) bond length is 2.07 Å. The Mn(1)-O(12) bond length is 2.07 Å. The Mn(1)-O(9) bond length is 2.07 Å. In the second Mn site, Mn(2) is bonded in a square co-planar geometry to one O(13), one O(14), one O(7), and one O(8) atom. The Mn(2)-O(13) bond length is 2.07 Å. The Mn(2)-O(14) bond length is 2.07 Å. The Mn(2)-O(7) bond length is 2.07 Å. The Mn(2)-O(8) bond length is 2.07 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(14), one O(4), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Li(3)O4 trigonal pyramid, and  a cornercorner with one Li(4)O4 trigonal pyramid. The P(1)-O(1) bond length is 1.63 Å. The P(1)-O(14) bond length is 1.55 Å. The P(1)-O(4) bond length is 1.51 Å. The P(1)-O(9) bond length is 1.55 Å. In the second P site, P(2) is bonded to one O(10), one O(13), one O(2), and one O(3) atom to form PO4 tetrahedra that share  a cornercorner with one P(4)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Li(3)O4 trigonal pyramid, and  a cornercorner with one Li(4)O4 trigonal pyramid. The P(2)-O(10) bond length is 1.55 Å. The P(2)-O(13) bond length is 1.55 Å. The P(2)-O(2) bond length is 1.63 Å. The P(2)-O(3) bond length is 1.51 Å. In the third P site, P(3) is bonded to one O(1), one O(11), one O(6), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Li(3)O4 trigonal pyramid, and  a cornercorner with one Li(4)O4 trigonal pyramid. The P(3)-O(1) bond length is 1.63 Å. The P(3)-O(11) bond length is 1.55 Å. The P(3)-O(6) bond length is 1.51 Å. The P(3)-O(7) bond length is 1.55 Å. In the fourth P site, P(4) is bonded to one O(12), one O(2), one O(5), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Li(3)O4 trigonal pyramid, and  a cornercorner with one Li(4)O4 trigonal pyramid. The P(4)-O(12) bond length is 1.55 Å. The P(4)-O(2) bond length is 1.63 Å. The P(4)-O(5) bond length is 1.51 Å. The P(4)-O(8) bond length is 1.55 Å. There are fourteen inequivalent O sites. In the first O site, O(1) is bonded in a bent 120 degrees geometry to one P(1) and one P(3) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one P(2) and one P(4) atom. In the third O site, O(3) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(3), and one P(2) atom. In the fourth O site, O(4) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(3), and one P(1) atom. In the fifth O site, O(5) is bonded in a trigonal non-coplanar geometry to one Li(2), one Li(4), and one P(4) atom. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Li(2), one Li(4), and one P(3) atom. In the seventh O site, O(7) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(3) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(2), and one P(4) atom. In the ninth O site, O(9) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(1) atom. In the tenth O site, O(10) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(2) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(1), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal planar geometry to one Li(3), one Mn(1), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(2), and one P(2) atom. In the fourteenth O site, O(14) is bonded in a distorted trigonal planar geometry to one Li(4), one Mn(2), and one P(1) atom.