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 rectangular see-saw-like geometry to one O(2), one O(3), one O(4), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(3), one O(5), 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(1), one O(2), one O(3), one O(6), and two equivalent O(4) atoms to form distorted MnO6 pentagonal pyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 pentagonal pyramid, and  an edgeedge with one P(1)O4 tetrahedra. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom. There are two inequivalent P sites. In the first P site, 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 three equivalent Mn(1)O6 pentagonal pyramids and  an edgeedge with one Mn(1)O6 pentagonal pyramid. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 pentagonal pyramid. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Mn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Mn(1), one Mn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(2), and one P(2) 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 rectangular see-saw-like geometry to one O(2), one O(3), one O(4), one O(7), and one O(8) atom. The Li(1)-O(2) bond length is 1.97 Å. The Li(1)-O(3) bond length is 2.16 Å. The Li(1)-O(4) bond length is 2.61 Å. The Li(1)-O(7) bond length is 2.10 Å. The Li(1)-O(8) bond length is 2.05 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(3), one O(5), one O(6), one O(7), and one O(8) atom. The Li(2)-O(3) bond length is 2.14 Å. The Li(2)-O(5) bond length is 2.02 Å. The Li(2)-O(6) bond length is 2.08 Å. The Li(2)-O(7) bond length is 2.33 Å. The Li(2)-O(8) bond length is 2.56 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(3), one O(6), and two equivalent O(4) atoms to form distorted MnO6 pentagonal pyramids that share  a cornercorner with one P(2)O4 tetrahedra, corners with three equivalent P(1)O4 tetrahedra,  an edgeedge with one Mn(1)O6 pentagonal pyramid, and  an edgeedge with one P(1)O4 tetrahedra. The Mn(1)-O(1) bond length is 2.29 Å. The Mn(1)-O(2) bond length is 2.33 Å. The Mn(1)-O(3) bond length is 2.12 Å. The Mn(1)-O(6) bond length is 2.30 Å. There is one shorter (2.15 Å) and one longer (2.28 Å) Mn(1)-O(4) bond length. In the second Mn site, Mn(2) is bonded in a 6-coordinate geometry to one O(1), one O(2), one O(5), one O(6), one O(7), and one O(8) atom. The Mn(2)-O(1) bond length is 2.08 Å. The Mn(2)-O(2) bond length is 2.70 Å. The Mn(2)-O(5) bond length is 2.20 Å. The Mn(2)-O(6) bond length is 2.47 Å. The Mn(2)-O(7) bond length is 2.10 Å. The Mn(2)-O(8) bond length is 2.19 Å. There are two inequivalent P sites. In the first P site, 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 three equivalent Mn(1)O6 pentagonal pyramids and  an edgeedge with one Mn(1)O6 pentagonal pyramid. The P(1)-O(1) bond length is 1.56 Å. The P(1)-O(2) bond length is 1.55 Å. The P(1)-O(3) bond length is 1.55 Å. The P(1)-O(4) bond length is 1.56 Å. In the second P site, P(2) is bonded to one O(5), one O(6), one O(7), and one O(8) atom to form PO4 tetrahedra that share  a cornercorner with one Mn(1)O6 pentagonal pyramid. The P(2)-O(5) bond length is 1.56 Å. The P(2)-O(6) bond length is 1.57 Å. The P(2)-O(7) bond length is 1.56 Å. The P(2)-O(8) bond length is 1.55 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a 3-coordinate geometry to one Mn(1), one Mn(2), and one P(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(1), one Mn(1), one Mn(2), and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Mn(1), and one P(1) atom. In the fifth O site, O(5) is bonded in a 3-coordinate geometry to one Li(2), one Mn(2), and one P(2) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Mn(1), one Mn(2), and one P(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(2), and one P(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(2), one Mn(2), and one P(2) atom.