LiMnPO5 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-73°. Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. P(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-52°. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Li(1) and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom.
LiMnPO5 crystallizes in the orthorhombic Pnma space group. Li(1) is bonded to one O(1), one O(2), and two equivalent O(3) atoms to form LiO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with three equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 58-73°. The Li(1)-O(1) bond length is 1.87 Å. The Li(1)-O(2) bond length is 2.01 Å. Both Li(1)-O(3) bond lengths are 1.98 Å. Mn(1) is bonded to two equivalent O(2), two equivalent O(3), and two equivalent O(4) atoms to form MnO6 octahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with four equivalent P(1)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. Both Mn(1)-O(2) bond lengths are 1.87 Å. Both Mn(1)-O(3) bond lengths are 1.99 Å. Both Mn(1)-O(4) bond lengths are 2.13 Å. P(1) is bonded to one O(1), one O(4), and two equivalent O(3) atoms to form PO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra and corners with three equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 46-52°. The P(1)-O(1) bond length is 1.50 Å. The P(1)-O(4) bond length is 1.59 Å. Both P(1)-O(3) bond lengths are 1.56 Å. There are four inequivalent O sites. In the first O site, O(1) is bonded in a linear geometry to one Li(1) and one P(1) atom. In the second O site, O(2) is bonded in a trigonal planar geometry to one Li(1) and two equivalent Mn(1) atoms. In the third O site, O(3) is bonded in a trigonal planar geometry to one Li(1), one Mn(1), and one P(1) atom. In the fourth O site, O(4) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom.