LiMnPO4 crystallizes in the triclinic P-1 space group. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a distorted trigonal planar geometry to one O(1), one O(2), and one O(3) atom. In the second Li site, Li(2) is bonded in a distorted trigonal planar geometry to one O(6), one O(7), and one O(8) atom. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one P(1)O4 tetrahedra. In the second Mn site, Mn(2) is bonded to one O(1), one O(4), one O(8), and two equivalent O(5) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O5 trigonal bipyramids and corners with four equivalent Mn(2)O5 trigonal bipyramids. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Mn(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), 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 in a distorted trigonal planar geometry to one O(1), one O(2), and one O(3) atom. The Li(1)-O(1) bond length is 1.96 Å. The Li(1)-O(2) bond length is 1.94 Å. The Li(1)-O(3) bond length is 1.90 Å. In the second Li site, Li(2) is bonded in a distorted trigonal planar geometry to one O(6), one O(7), and one O(8) atom. The Li(2)-O(6) bond length is 1.90 Å. The Li(2)-O(7) bond length is 1.90 Å. The Li(2)-O(8) bond length is 1.91 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted MnO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with two equivalent P(2)O4 tetrahedra,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one P(1)O4 tetrahedra. The Mn(1)-O(2) bond length is 2.24 Å. The Mn(1)-O(3) bond length is 2.26 Å. The Mn(1)-O(4) bond length is 2.13 Å. The Mn(1)-O(6) bond length is 2.12 Å. The Mn(1)-O(7) bond length is 2.21 Å. In the second Mn site, Mn(2) is bonded to one O(1), one O(4), one O(8), and two equivalent O(5) atoms to form MnO5 trigonal bipyramids that share  a cornercorner with one P(1)O4 tetrahedra, corners with four equivalent P(2)O4 tetrahedra,  a cornercorner with one Mn(1)O5 trigonal bipyramid, and  an edgeedge with one Mn(2)O5 trigonal bipyramid. The Mn(2)-O(1) bond length is 2.09 Å. The Mn(2)-O(4) bond length is 2.19 Å. The Mn(2)-O(8) bond length is 2.13 Å. There is one shorter (2.11 Å) and one longer (2.21 Å) Mn(2)-O(5) bond length. There are two inequivalent P sites. In the first P site, P(1) is bonded to one O(2), one O(3), one O(6), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O5 trigonal bipyramid,  a cornercorner with one Mn(2)O5 trigonal bipyramid, and  an edgeedge with one Mn(1)O5 trigonal bipyramid. The P(1)-O(2) bond length is 1.56 Å. The P(1)-O(3) bond length is 1.55 Å. The P(1)-O(6) bond length is 1.56 Å. The P(1)-O(8) bond length is 1.57 Å. In the second P site, P(2) is bonded to one O(1), one O(4), one O(5), and one O(7) atom to form PO4 tetrahedra that share corners with two equivalent Mn(1)O5 trigonal bipyramids and corners with four equivalent Mn(2)O5 trigonal bipyramids. The P(2)-O(1) bond length is 1.55 Å. The P(2)-O(4) bond length is 1.57 Å. The P(2)-O(5) bond length is 1.56 Å. The P(2)-O(7) bond length is 1.55 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal planar geometry to one Li(1), one Mn(2), and one P(2) atom. In the second O site, O(2) is bonded in a 3-coordinate geometry to one Li(1), one Mn(1), and one P(1) atom. In the third O site, O(3) is bonded in a distorted T-shaped geometry to one Li(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a trigonal planar geometry to one Mn(1), one Mn(2), and one P(2) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to two equivalent Mn(2) and one P(2) atom. In the sixth O site, O(6) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(1), and one P(1) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one Li(2), one Mn(1), and one P(2) atom. In the eighth O site, O(8) is bonded in a distorted trigonal planar geometry to one Li(2), one Mn(2), and one P(1) atom.