LiMn3(PO4)3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a distorted square co-planar geometry to two equivalent O(4) and two equivalent O(5) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(1), one O(3), 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 39-59°. In the second P site, P(2) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(1) atom. In the second O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) 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 distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(2) atom. In the fifth O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom. In the sixth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom.
LiMn3(PO4)3 crystallizes in the monoclinic C2/c space group. Li(1) is bonded in a distorted square co-planar geometry to two equivalent O(4) and two equivalent O(5) atoms. Both Li(1)-O(4) bond lengths are 2.17 Å. Both Li(1)-O(5) bond lengths are 2.25 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(2), one O(4), one O(6), and two equivalent O(3) atoms to form MnO6 octahedra that share corners with two equivalent P(2)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and  an edgeedge with one Mn(1)O6 octahedra. The Mn(1)-O(1) bond length is 1.92 Å. The Mn(1)-O(2) bond length is 2.06 Å. The Mn(1)-O(4) bond length is 2.00 Å. The Mn(1)-O(6) bond length is 2.15 Å. There is one shorter (1.99 Å) and one longer (2.28 Å) Mn(1)-O(3) bond length. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to two equivalent O(2), two equivalent O(5), and two equivalent O(6) atoms. Both Mn(2)-O(2) bond lengths are 2.33 Å. Both Mn(2)-O(5) bond lengths are 2.19 Å. Both Mn(2)-O(6) bond lengths are 2.16 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(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 39-59°. The P(1)-O(1) bond length is 1.54 Å. The P(1)-O(3) bond length is 1.59 Å. The P(1)-O(5) bond length is 1.54 Å. The P(1)-O(6) bond length is 1.55 Å. In the second P site, P(2) is bonded to two equivalent O(2) and two equivalent O(4) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-54°. Both P(2)-O(2) bond lengths are 1.55 Å. Both P(2)-O(4) bond lengths are 1.57 Å. There are six inequivalent O sites. In the first O site, O(5) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(1) atom. In the second O site, O(6) is bonded in a distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(1) 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 distorted trigonal planar geometry to one Mn(1), one Mn(2), and one P(2) atom. In the fifth O site, O(3) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom. In the sixth O site, O(4) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(2) atom.