LiMnPO4 is Chalcostibite-derived structured and crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. Mn(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. 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 four equivalent Li(1)O4 tetrahedra. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar 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 distorted trigonal planar geometry to two equivalent Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), two equivalent Mn(1), and one P(1) atom.
LiMnPO4 is Chalcostibite-derived structured and crystallizes in the orthorhombic Pna2_1 space group. Li(1) is bonded to one O(3), one O(4), and two equivalent O(1) atoms to form LiO4 tetrahedra that share corners with two equivalent Li(1)O4 tetrahedra and corners with four equivalent P(1)O4 tetrahedra. The Li(1)-O(3) bond length is 2.04 Å. The Li(1)-O(4) bond length is 1.92 Å. There is one shorter (1.88 Å) and one longer (1.97 Å) Li(1)-O(1) bond length. Mn(1) is bonded in a 7-coordinate geometry to one O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms. The Mn(1)-O(1) bond length is 2.82 Å. There is one shorter (2.15 Å) and one longer (2.20 Å) Mn(1)-O(2) bond length. There is one shorter (2.43 Å) and one longer (2.54 Å) Mn(1)-O(3) bond length. There is one shorter (2.20 Å) and one longer (2.69 Å) Mn(1)-O(4) bond length. 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 four equivalent Li(1)O4 tetrahedra. The P(1)-O(1) bond length is 1.53 Å. The P(1)-O(2) bond length is 1.57 Å. The P(1)-O(3) bond length is 1.57 Å. The P(1)-O(4) bond length is 1.56 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a distorted trigonal planar 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 distorted trigonal planar geometry to two equivalent Mn(1) and one P(1) atom. In the third O site, O(3) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to one Li(1), two equivalent Mn(1), and one P(1) atom.