LiMn2O4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. In the second Mn site, Mn(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Mn(1), and two equivalent Mn(2) atoms to form a mixture of edge and corner-sharing OLiMn4 square pyramids. In the second O site, O(2) is bonded in a see-saw-like geometry to two equivalent Li(1), one Mn(1), and one Mn(2) atom.
LiMn2O4 crystallizes in the monoclinic C2/c space group. Li(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form LiO6 octahedra that share edges with two equivalent Li(1)O6 octahedra, edges with four equivalent Mn(1)O6 octahedra, and edges with four equivalent Mn(2)O6 octahedra. Both Li(1)-O(1) bond lengths are 1.97 Å. There are two shorter (1.96 Å) and two longer (1.97 Å) Li(1)-O(2) bond lengths. There are two inequivalent Mn sites. In the first Mn site, Mn(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mn(2)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. Both Mn(1)-O(2) bond lengths are 1.91 Å. There are two shorter (2.07 Å) and two longer (2.22 Å) Mn(1)-O(1) bond lengths. In the second Mn site, Mn(2) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form MnO6 octahedra that share corners with six equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(1)O6 octahedra, edges with two equivalent Mn(2)O6 octahedra, and edges with four equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-14°. Both Mn(2)-O(2) bond lengths are 1.91 Å. There are two shorter (2.05 Å) and two longer (2.14 Å) Mn(2)-O(1) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), two equivalent Mn(1), and two equivalent Mn(2) atoms to form a mixture of edge and corner-sharing OLiMn4 square pyramids. In the second O site, O(2) is bonded in a see-saw-like geometry to two equivalent Li(1), one Mn(1), and one Mn(2) atom.