LiMn2(PO4)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a trigonal non-coplanar geometry to one O(3), one O(4), and one O(5) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(7), and one O(8) atom. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(6), one O(7), and one O(8) atom to form MnO5 square pyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(2)O5 square pyramids. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Mn(2)O5 square pyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), 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(2) 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 150 degrees geometry to one Li(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Li(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 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(2) atom.
LiMn2(PO4)2 crystallizes in the triclinic P1 space group. Li(1) is bonded in a trigonal non-coplanar geometry to one O(3), one O(4), and one O(5) atom. The Li(1)-O(3) bond length is 1.94 Å. The Li(1)-O(4) bond length is 1.86 Å. The Li(1)-O(5) bond length is 1.89 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded in a 5-coordinate geometry to one O(1), one O(2), one O(3), one O(7), and one O(8) atom. The Mn(1)-O(1) bond length is 2.06 Å. The Mn(1)-O(2) bond length is 2.24 Å. The Mn(1)-O(3) bond length is 2.09 Å. The Mn(1)-O(7) bond length is 2.09 Å. The Mn(1)-O(8) bond length is 2.44 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(2), one O(6), one O(7), and one O(8) atom to form MnO5 square pyramids that share corners with two equivalent P(1)O4 tetrahedra and corners with three equivalent P(2)O4 tetrahedra. The Mn(2)-O(1) bond length is 1.99 Å. The Mn(2)-O(2) bond length is 1.98 Å. The Mn(2)-O(6) bond length is 1.93 Å. The Mn(2)-O(7) bond length is 2.10 Å. The Mn(2)-O(8) bond length is 2.01 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), one O(4), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(2)O5 square pyramids. The P(1)-O(1) bond length is 1.62 Å. The P(1)-O(3) bond length is 1.54 Å. The P(1)-O(4) bond length is 1.50 Å. The P(1)-O(7) bond length is 1.57 Å. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(8) atom to form PO4 tetrahedra that share corners with three equivalent Mn(2)O5 square pyramids. The P(2)-O(2) bond length is 1.59 Å. The P(2)-O(5) bond length is 1.50 Å. The P(2)-O(6) bond length is 1.57 Å. The P(2)-O(8) bond length is 1.58 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), 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(2) 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 150 degrees geometry to one Li(1) and one P(1) atom. In the fifth O site, O(5) is bonded in a bent 120 degrees geometry to one Li(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 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(2) atom.