LiMnPO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(5), one O(8), and two equivalent O(1) atoms to form LiO4 trigonal pyramids that share  a cornercorner with one Mn(2)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent Mn(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(6), one O(8), and two equivalent O(4) atoms to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one P(1)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Li(1)O4 trigonal pyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form MnO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and corners with two equivalent Li(2)O4 trigonal pyramids. 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(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O4 tetrahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Li(2)O4 trigonal pyramids, corners with three equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Mn(2)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Li(1)O4 trigonal pyramid, and corners with two equivalent Li(2)O4 trigonal pyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), 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(2), one Mn(2), and one P(1) atom. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Mn(1), and one P(1) atom to form edge-sharing OLiMn2P trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Li(1), one Mn(1), and one P(1) atom.
LiMnPO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(5), one O(8), and two equivalent O(1) atoms to form LiO4 trigonal pyramids that share  a cornercorner with one Mn(2)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Li(1)O4 trigonal pyramid. The Li(1)-O(5) bond length is 1.97 Å. The Li(1)-O(8) bond length is 1.94 Å. There is one shorter (2.00 Å) and one longer (2.23 Å) Li(1)-O(1) bond length. In the second Li site, Li(2) is bonded to one O(2), one O(3), one O(4), and one O(6) atom to form distorted LiO4 trigonal pyramids that share corners with two equivalent Mn(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. The Li(2)-O(2) bond length is 2.01 Å. The Li(2)-O(3) bond length is 2.07 Å. The Li(2)-O(4) bond length is 2.24 Å. The Li(2)-O(6) bond length is 2.05 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(1), one O(6), one O(8), and two equivalent O(4) atoms to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one P(1)O4 tetrahedra,  an edgeedge with one Mn(1)O5 trigonal bipyramid,  an edgeedge with one Li(1)O4 trigonal pyramid, and  an edgeedge with one Li(2)O4 trigonal pyramid. The Mn(1)-O(1) bond length is 2.11 Å. The Mn(1)-O(6) bond length is 2.07 Å. The Mn(1)-O(8) bond length is 2.22 Å. There is one shorter (2.16 Å) and one longer (2.24 Å) Mn(1)-O(4) bond length. In the second Mn site, Mn(2) is bonded to one O(2), one O(3), one O(5), and one O(7) atom to form MnO4 tetrahedra that share  a cornercorner with one P(1)O4 tetrahedra, corners with three equivalent P(2)O4 tetrahedra,  a cornercorner with one Li(1)O4 trigonal pyramid, and corners with two equivalent Li(2)O4 trigonal pyramids. The Mn(2)-O(2) bond length is 2.10 Å. The Mn(2)-O(3) bond length is 2.12 Å. The Mn(2)-O(5) bond length is 2.11 Å. The Mn(2)-O(7) bond length is 2.04 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(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(2)O4 tetrahedra, corners with two equivalent Mn(1)O5 trigonal bipyramids, corners with two equivalent Li(2)O4 trigonal pyramids, corners with three equivalent Li(1)O4 trigonal pyramids, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. The P(1)-O(1) bond length is 1.56 Å. The P(1)-O(3) bond length is 1.55 Å. The P(1)-O(4) bond length is 1.58 Å. The P(1)-O(8) bond length is 1.54 Å. In the second P site, P(2) is bonded to one O(2), one O(5), one O(6), and one O(7) atom to form PO4 tetrahedra that share corners with three equivalent Mn(2)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Li(1)O4 trigonal pyramid, and corners with two equivalent Li(2)O4 trigonal pyramids. The P(2)-O(2) bond length is 1.57 Å. The P(2)-O(5) bond length is 1.57 Å. The P(2)-O(6) bond length is 1.56 Å. The P(2)-O(7) bond length is 1.54 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to two equivalent Li(1), one Mn(1), and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(2), 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(2), one Mn(2), and one P(1) atom. In the fourth O site, O(4) is bonded to one Li(2), two equivalent Mn(1), and one P(1) atom to form edge-sharing OLiMn2P trigonal pyramids. In the fifth O site, O(5) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal non-coplanar geometry to one Li(2), one Mn(1), and one P(2) atom. In the seventh O site, O(7) is bonded in a bent 120 degrees geometry to one Mn(2) and one P(2) atom. In the eighth O site, O(8) is bonded in a T-shaped geometry to one Li(1), one Mn(1), and one P(1) atom.