LiMn4(PO4)3 crystallizes in the hexagonal P6_3 space group. Li(1) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(4) atoms. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O6 pentagonal pyramid, corners with three equivalent P(1)O4 tetrahedra, corners with four equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one P(1)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form distorted MnO6 pentagonal pyramids that share corners with six equivalent P(1)O4 tetrahedra and corners with three equivalent Mn(1)O5 trigonal bipyramids. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 pentagonal pyramids, corners with three equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom. In the third O site, O(3) is bonded to one Li(1), one Mn(1), one Mn(2), and one P(1) atom to form distorted edge-sharing OLiMn2P tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(1) atom.
LiMn4(PO4)3 crystallizes in the hexagonal P6_3 space group. Li(1) is bonded in a 6-coordinate geometry to three equivalent O(3) and three equivalent O(4) atoms. All Li(1)-O(3) bond lengths are 2.46 Å. All Li(1)-O(4) bond lengths are 2.17 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(3), two equivalent O(1), and two equivalent O(2) atoms to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one Mn(2)O6 pentagonal pyramid, corners with three equivalent P(1)O4 tetrahedra, corners with four equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one P(1)O4 tetrahedra. The Mn(1)-O(3) bond length is 2.13 Å. There is one shorter (2.08 Å) and one longer (2.35 Å) Mn(1)-O(1) bond length. There is one shorter (2.09 Å) and one longer (2.34 Å) Mn(1)-O(2) bond length. In the second Mn site, Mn(2) is bonded to three equivalent O(3) and three equivalent O(4) atoms to form distorted MnO6 pentagonal pyramids that share corners with six equivalent P(1)O4 tetrahedra and corners with three equivalent Mn(1)O5 trigonal bipyramids. All Mn(2)-O(3) bond lengths are 2.29 Å. All Mn(2)-O(4) bond lengths are 2.22 Å. P(1) is bonded to one O(1), one O(2), one O(3), and one O(4) atom to form PO4 tetrahedra that share corners with two equivalent Mn(2)O6 pentagonal pyramids, corners with three equivalent Mn(1)O5 trigonal bipyramids, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. The P(1)-O(1) bond length is 1.57 Å. The P(1)-O(2) bond length is 1.56 Å. The P(1)-O(3) bond length is 1.57 Å. The P(1)-O(4) bond length is 1.53 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom. In the third O site, O(3) is bonded to one Li(1), one Mn(1), one Mn(2), and one P(1) atom to form distorted edge-sharing OLiMn2P tetrahedra. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), one Mn(2), and one P(1) atom.