Li2Mn2(PO4)3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), and one O(6) atom. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-39°. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-44°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(1), and one P(2) atom. In the second O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one P(2) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the fifth O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom.
Li2Mn2(PO4)3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a 4-coordinate geometry to one O(3), one O(4), one O(5), and one O(6) atom. The Li(1)-O(3) bond length is 2.02 Å. The Li(1)-O(4) bond length is 2.09 Å. The Li(1)-O(5) bond length is 2.12 Å. The Li(1)-O(6) bond length is 2.00 Å. Mn(1) is bonded to one O(1), one O(2), one O(3), one O(4), one O(5), and one O(6) atom to form MnO6 octahedra that share corners with two equivalent P(1)O4 tetrahedra and corners with four equivalent P(2)O4 tetrahedra. The Mn(1)-O(1) bond length is 1.94 Å. The Mn(1)-O(2) bond length is 1.90 Å. The Mn(1)-O(3) bond length is 2.06 Å. The Mn(1)-O(4) bond length is 2.04 Å. The Mn(1)-O(5) bond length is 1.99 Å. The Mn(1)-O(6) bond length is 1.96 Å. There are two inequivalent P sites. In the first P site, P(1) is bonded to two equivalent O(1) and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 28-39°. Both P(1)-O(1) bond lengths are 1.54 Å. Both P(1)-O(3) bond lengths are 1.55 Å. In the second P site, P(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 21-44°. The P(2)-O(2) bond length is 1.52 Å. The P(2)-O(4) bond length is 1.54 Å. The P(2)-O(5) bond length is 1.56 Å. The P(2)-O(6) bond length is 1.56 Å. There are six inequivalent O sites. In the first O site, O(5) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(1), and one P(2) atom. In the second O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Mn(1), and one P(2) atom. In the third O site, O(1) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(1) atom. In the fourth O site, O(2) is bonded in a bent 150 degrees geometry to one Mn(1) and one P(2) atom. In the fifth O site, O(3) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the sixth O site, O(4) is bonded in a distorted trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom.