LiMn2(PO4)2 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(15), one O(5), 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, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent Mn(3)O5 trigonal bipyramids, and corners with two equivalent Mn(1)O4 trigonal pyramids. In the second Li site, Li(2) is bonded to one O(10), one O(14), one O(16), 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, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent Mn(4)O5 trigonal bipyramids, and corners with two equivalent Mn(2)O4 trigonal pyramids. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(13), one O(15), and one O(7) atom to form distorted MnO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Mn(4)O5 trigonal bipyramid, and corners with two equivalent Li(1)O4 trigonal pyramids. In the second Mn site, Mn(2) is bonded to one O(12), one O(14), one O(16), and one O(8) atom to form distorted MnO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Mn(3)O5 trigonal bipyramid, and corners with two equivalent Li(2)O4 trigonal pyramids. In the third Mn site, Mn(3) is bonded to one O(1), one O(12), one O(3), one O(5), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Mn(2)O4 trigonal pyramid, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one P(4)O4 tetrahedra. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(11), one O(2), one O(4), and one O(6) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mn(1)O4 trigonal pyramid, corners with two equivalent Li(2)O4 trigonal pyramids, and  an edgeedge with one P(3)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(16), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(3)O5 trigonal bipyramids,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Mn(1)O4 trigonal pyramid, and  a cornercorner with one Mn(2)O4 trigonal pyramid. In the second P site, P(2) is bonded to one O(15), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(4)O5 trigonal bipyramids,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Mn(1)O4 trigonal pyramid, and  a cornercorner with one Mn(2)O4 trigonal pyramid. In the third P site, P(3) is bonded to one O(11), one O(13), one O(2), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O5 trigonal bipyramid, corners with two equivalent Li(1)O4 trigonal pyramids, corners with two equivalent Mn(1)O4 trigonal pyramids, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. In the fourth P site, P(4) is bonded to one O(1), one O(10), one O(12), and one O(14) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(4)O5 trigonal bipyramid, corners with two equivalent Li(2)O4 trigonal pyramids, corners with two equivalent Mn(2)O4 trigonal pyramids, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Mn(3) and one P(4) atom. In the second O site, O(2) is bonded in an L-shaped geometry to one Mn(4) and one P(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(4) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(3), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(4), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(1), one Mn(3), and one P(3) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(2), one Mn(4), and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(4), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one Mn(3), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(2), one Mn(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Li(2), one Mn(2), and one P(1) atom.
LiMn2(PO4)2 crystallizes in the triclinic P1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(13), one O(15), one O(5), 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, corners with two equivalent P(3)O4 tetrahedra, corners with two equivalent Mn(3)O5 trigonal bipyramids, and corners with two equivalent Mn(1)O4 trigonal pyramids. The Li(1)-O(13) bond length is 2.08 Å. The Li(1)-O(15) bond length is 2.04 Å. The Li(1)-O(5) bond length is 2.07 Å. The Li(1)-O(9) bond length is 2.08 Å. In the second Li site, Li(2) is bonded to one O(10), one O(14), one O(16), 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, corners with two equivalent P(4)O4 tetrahedra, corners with two equivalent Mn(4)O5 trigonal bipyramids, and corners with two equivalent Mn(2)O4 trigonal pyramids. The Li(2)-O(10) bond length is 2.08 Å. The Li(2)-O(14) bond length is 2.09 Å. The Li(2)-O(16) bond length is 2.04 Å. The Li(2)-O(6) bond length is 2.07 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(11), one O(13), one O(15), and one O(7) atom to form distorted MnO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra,  a cornercorner with one Mn(4)O5 trigonal bipyramid, and corners with two equivalent Li(1)O4 trigonal pyramids. The Mn(1)-O(11) bond length is 2.18 Å. The Mn(1)-O(13) bond length is 2.10 Å. The Mn(1)-O(15) bond length is 2.06 Å. The Mn(1)-O(7) bond length is 2.00 Å. In the second Mn site, Mn(2) is bonded to one O(12), one O(14), one O(16), and one O(8) atom to form distorted MnO4 trigonal pyramids that share  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra,  a cornercorner with one Mn(3)O5 trigonal bipyramid, and corners with two equivalent Li(2)O4 trigonal pyramids. The Mn(2)-O(12) bond length is 2.18 Å. The Mn(2)-O(14) bond length is 2.10 Å. The Mn(2)-O(16) bond length is 2.06 Å. The Mn(2)-O(8) bond length is 2.00 Å. In the third Mn site, Mn(3) is bonded to one O(1), one O(12), one O(3), one O(5), and one O(9) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Mn(2)O4 trigonal pyramid, corners with two equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one P(4)O4 tetrahedra. The Mn(3)-O(1) bond length is 1.98 Å. The Mn(3)-O(12) bond length is 2.07 Å. The Mn(3)-O(3) bond length is 1.88 Å. The Mn(3)-O(5) bond length is 2.10 Å. The Mn(3)-O(9) bond length is 2.05 Å. In the fourth Mn site, Mn(4) is bonded to one O(10), one O(11), one O(2), one O(4), and one O(6) atom to form MnO5 trigonal bipyramids that share  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mn(1)O4 trigonal pyramid, corners with two equivalent Li(2)O4 trigonal pyramids, and  an edgeedge with one P(3)O4 tetrahedra. The Mn(4)-O(10) bond length is 2.05 Å. The Mn(4)-O(11) bond length is 2.07 Å. The Mn(4)-O(2) bond length is 1.98 Å. The Mn(4)-O(4) bond length is 1.88 Å. The Mn(4)-O(6) bond length is 2.10 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(16), one O(3), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(3)O5 trigonal bipyramids,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Mn(1)O4 trigonal pyramid, and  a cornercorner with one Mn(2)O4 trigonal pyramid. The P(1)-O(16) bond length is 1.54 Å. The P(1)-O(3) bond length is 1.58 Å. The P(1)-O(5) bond length is 1.56 Å. The P(1)-O(7) bond length is 1.53 Å. In the second P site, P(2) is bonded to one O(15), one O(4), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with two equivalent Mn(4)O5 trigonal bipyramids,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid,  a cornercorner with one Mn(1)O4 trigonal pyramid, and  a cornercorner with one Mn(2)O4 trigonal pyramid. The P(2)-O(15) bond length is 1.55 Å. The P(2)-O(4) bond length is 1.58 Å. The P(2)-O(6) bond length is 1.56 Å. The P(2)-O(8) bond length is 1.53 Å. In the third P site, P(3) is bonded to one O(11), one O(13), one O(2), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O5 trigonal bipyramid, corners with two equivalent Li(1)O4 trigonal pyramids, corners with two equivalent Mn(1)O4 trigonal pyramids, and  an edgeedge with one Mn(4)O5 trigonal bipyramid. The P(3)-O(11) bond length is 1.60 Å. The P(3)-O(13) bond length is 1.54 Å. The P(3)-O(2) bond length is 1.56 Å. The P(3)-O(9) bond length is 1.56 Å. In the fourth P site, P(4) is bonded to one O(1), one O(10), one O(12), and one O(14) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(4)O5 trigonal bipyramid, corners with two equivalent Li(2)O4 trigonal pyramids, corners with two equivalent Mn(2)O4 trigonal pyramids, and  an edgeedge with one Mn(3)O5 trigonal bipyramid. The P(4)-O(1) bond length is 1.56 Å. The P(4)-O(10) bond length is 1.56 Å. The P(4)-O(12) bond length is 1.60 Å. The P(4)-O(14) bond length is 1.54 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in an L-shaped geometry to one Mn(3) and one P(4) atom. In the second O site, O(2) is bonded in an L-shaped geometry to one Mn(4) and one P(3) atom. In the third O site, O(3) is bonded in a bent 120 degrees geometry to one Mn(3) and one P(1) atom. In the fourth O site, O(4) is bonded in a bent 120 degrees geometry to one Mn(4) and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(3), and one P(1) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(4), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mn(1) and one P(1) atom. In the eighth O site, O(8) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(2) atom. In the ninth O site, O(9) is bonded in a trigonal planar geometry to one Li(1), one Mn(3), and one P(3) atom. In the tenth O site, O(10) is bonded in a trigonal planar geometry to one Li(2), one Mn(4), and one P(4) atom. In the eleventh O site, O(11) is bonded in a distorted trigonal non-coplanar geometry to one Mn(1), one Mn(4), and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Mn(2), one Mn(3), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(3) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(2), one Mn(2), and one P(4) atom. In the fifteenth O site, O(15) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom. In the sixteenth O site, O(16) is bonded in a trigonal planar geometry to one Li(2), one Mn(2), and one P(1) atom.