LiMn2(PO4)2 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(15), one O(16), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O4 tetrahedra,  a cornercorner with one Mn(3)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Mn(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(14), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O4 tetrahedra,  a cornercorner with one Mn(4)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Mn(1)O4 tetrahedra. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(3), one O(5), and one O(7) atom to form MnO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(12), one O(6), one O(8), and one O(9) atom to form MnO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the third Mn site, Mn(3) is bonded to one O(11), one O(13), one O(15), and one O(2) atom to form MnO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(14), one O(16), and one O(4) atom to form MnO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(2), one O(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O4 tetrahedra,  a cornercorner with one Mn(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent Mn(1)O4 tetrahedra. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Mn(1)O4 tetrahedra,  a cornercorner with one Mn(4)O4 tetrahedra, and corners with two equivalent Mn(2)O4 tetrahedra. In the third P site, P(3) is bonded to one O(10), one O(11), one O(15), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Mn(1)O4 tetrahedra,  a cornercorner with one Mn(2)O4 tetrahedra, and corners with two equivalent Mn(3)O4 tetrahedra. In the fourth P site, P(4) is bonded to one O(12), one O(13), one O(14), and one O(16) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Mn(2)O4 tetrahedra,  a cornercorner with one Mn(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Mn(4)O4 tetrahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Mn(4), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mn(3) and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), 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 planar geometry to one Li(2), one Mn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(2) 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 bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Mn(3) and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(2), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(2), one Mn(4), 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(3), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(4), and one P(4) atom.
LiMn2(PO4)2 crystallizes in the monoclinic Pc space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(15), one O(16), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(1)O4 tetrahedra,  a cornercorner with one Mn(3)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Mn(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The Li(1)-O(1) bond length is 2.03 Å. The Li(1)-O(15) bond length is 2.03 Å. The Li(1)-O(16) bond length is 1.98 Å. The Li(1)-O(3) bond length is 2.04 Å. In the second Li site, Li(2) is bonded to one O(10), one O(12), one O(14), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Mn(2)O4 tetrahedra,  a cornercorner with one Mn(4)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  an edgeedge with one Mn(1)O4 tetrahedra. The Li(2)-O(10) bond length is 2.00 Å. The Li(2)-O(12) bond length is 2.10 Å. The Li(2)-O(14) bond length is 2.04 Å. The Li(2)-O(5) bond length is 2.06 Å. There are four inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(10), one O(3), one O(5), and one O(7) atom to form MnO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The Mn(1)-O(10) bond length is 2.12 Å. The Mn(1)-O(3) bond length is 2.11 Å. The Mn(1)-O(5) bond length is 2.07 Å. The Mn(1)-O(7) bond length is 2.04 Å. In the second Mn site, Mn(2) is bonded to one O(12), one O(6), one O(8), and one O(9) atom to form MnO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The Mn(2)-O(12) bond length is 1.98 Å. The Mn(2)-O(6) bond length is 1.90 Å. The Mn(2)-O(8) bond length is 1.98 Å. The Mn(2)-O(9) bond length is 1.92 Å. In the third Mn site, Mn(3) is bonded to one O(11), one O(13), one O(15), and one O(2) atom to form MnO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The Mn(3)-O(11) bond length is 1.95 Å. The Mn(3)-O(13) bond length is 1.95 Å. The Mn(3)-O(15) bond length is 2.05 Å. The Mn(3)-O(2) bond length is 1.90 Å. In the fourth Mn site, Mn(4) is bonded to one O(1), one O(14), one O(16), and one O(4) atom to form MnO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The Mn(4)-O(1) bond length is 2.07 Å. The Mn(4)-O(14) bond length is 2.11 Å. The Mn(4)-O(16) bond length is 2.09 Å. The Mn(4)-O(4) bond length is 2.02 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(3), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(3)O4 tetrahedra,  a cornercorner with one Mn(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, and corners with two equivalent Mn(1)O4 tetrahedra. The P(1)-O(1) bond length is 1.55 Å. The P(1)-O(2) bond length is 1.58 Å. The P(1)-O(3) bond length is 1.55 Å. The P(1)-O(7) bond length is 1.53 Å. In the second P site, P(2) is bonded to one O(4), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Mn(1)O4 tetrahedra,  a cornercorner with one Mn(4)O4 tetrahedra, and corners with two equivalent Mn(2)O4 tetrahedra. The P(2)-O(4) bond length is 1.53 Å. The P(2)-O(5) bond length is 1.54 Å. The P(2)-O(6) bond length is 1.58 Å. The P(2)-O(8) bond length is 1.56 Å. In the third P site, P(3) is bonded to one O(10), one O(11), one O(15), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Mn(1)O4 tetrahedra,  a cornercorner with one Mn(2)O4 tetrahedra, and corners with two equivalent Mn(3)O4 tetrahedra. The P(3)-O(10) bond length is 1.55 Å. The P(3)-O(11) bond length is 1.55 Å. The P(3)-O(15) bond length is 1.55 Å. The P(3)-O(9) bond length is 1.55 Å. In the fourth P site, P(4) is bonded to one O(12), one O(13), one O(14), and one O(16) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Mn(2)O4 tetrahedra,  a cornercorner with one Mn(3)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, and corners with two equivalent Mn(4)O4 tetrahedra. The P(4)-O(12) bond length is 1.57 Å. The P(4)-O(13) bond length is 1.54 Å. The P(4)-O(14) bond length is 1.55 Å. The P(4)-O(16) bond length is 1.56 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Mn(4), and one P(1) atom. In the second O site, O(2) is bonded in a bent 120 degrees geometry to one Mn(3) and one P(1) atom. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), 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 planar geometry to one Li(2), one Mn(1), and one P(2) atom. In the sixth O site, O(6) is bonded in a bent 120 degrees geometry to one Mn(2) 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 bent 150 degrees geometry to one Mn(2) and one P(3) atom. In the tenth O site, O(10) is bonded in a distorted T-shaped geometry to one Li(2), one Mn(1), and one P(3) atom. In the eleventh O site, O(11) is bonded in a bent 120 degrees geometry to one Mn(3) and one P(3) atom. In the twelfth O site, O(12) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(2), and one P(4) atom. In the thirteenth O site, O(13) is bonded in a bent 150 degrees geometry to one Mn(3) and one P(4) atom. In the fourteenth O site, O(14) is bonded in a trigonal planar geometry to one Li(2), one Mn(4), 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(3), and one P(3) atom. In the sixteenth O site, O(16) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(4), and one P(4) atom.