LiMnPO4 crystallizes in the orthorhombic Pbcn space group. Li(1) is bonded to four equivalent O(1) atoms to form LiO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with four equivalent Li(1)O4 tetrahedra, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 77-80°. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted MnO6 octahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with six equivalent P(1)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-72°. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Mn(1), and one P(1) atom to form distorted corner-sharing OLi2MnP tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom.
LiMnPO4 crystallizes in the orthorhombic Pbcn space group. Li(1) is bonded to four equivalent O(1) atoms to form LiO4 tetrahedra that share corners with four equivalent Mn(1)O6 octahedra, corners with four equivalent Li(1)O4 tetrahedra, and corners with four equivalent P(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 77-80°. There are two shorter (1.99 Å) and two longer (2.05 Å) Li(1)-O(1) bond lengths. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form distorted MnO6 octahedra that share corners with four equivalent Li(1)O4 tetrahedra, corners with six equivalent P(1)O4 tetrahedra, and edges with two equivalent Mn(1)O6 octahedra. Both Mn(1)-O(1) bond lengths are 2.50 Å. There are two shorter (2.05 Å) and two longer (2.32 Å) Mn(1)-O(2) bond lengths. P(1) is bonded to two equivalent O(1) and two equivalent O(2) atoms to form PO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra and corners with four equivalent Li(1)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 44-72°. Both P(1)-O(1) bond lengths are 1.57 Å. Both P(1)-O(2) bond lengths are 1.55 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Li(1), one Mn(1), and one P(1) atom to form distorted corner-sharing OLi2MnP tetrahedra. In the second O site, O(2) is bonded in a 3-coordinate geometry to two equivalent Mn(1) and one P(1) atom.