LiMnO2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form distorted LiO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra, corners with six equivalent Li(1)O4 tetrahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-66°. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with six equivalent Mn(1)O6 octahedra, and edges with three equivalent Li(1)O4 tetrahedra. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent Mn(1) atoms to form distorted OLi3Mn3 octahedra that share corners with six equivalent O(2)LiMn3 tetrahedra, edges with six equivalent O(1)Li3Mn3 octahedra, and edges with three equivalent O(2)LiMn3 tetrahedra. In the second O site, O(2) is bonded to one Li(1) and three equivalent Mn(1) atoms to form distorted OLiMn3 tetrahedra that share corners with six equivalent O(1)Li3Mn3 octahedra, corners with six equivalent O(2)LiMn3 tetrahedra, and edges with three equivalent O(1)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 3-62°.
LiMnO2 crystallizes in the triclinic P1 space group. Li(1) is bonded to one O(2) and three equivalent O(1) atoms to form distorted LiO4 tetrahedra that share corners with six equivalent Mn(1)O6 octahedra, corners with six equivalent Li(1)O4 tetrahedra, and edges with three equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-66°. The Li(1)-O(2) bond length is 1.86 Å. There are two shorter (2.00 Å) and one longer (2.05 Å) Li(1)-O(1) bond length. Mn(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form distorted MnO6 octahedra that share corners with six equivalent Li(1)O4 tetrahedra, edges with six equivalent Mn(1)O6 octahedra, and edges with three equivalent Li(1)O4 tetrahedra. There are two shorter (1.95 Å) and one longer (2.51 Å) Mn(1)-O(1) bond length. There are a spread of Mn(1)-O(2) bond distances ranging from 1.89-2.19 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent Mn(1) atoms to form distorted OLi3Mn3 octahedra that share corners with six equivalent O(2)LiMn3 tetrahedra, edges with six equivalent O(1)Li3Mn3 octahedra, and edges with three equivalent O(2)LiMn3 tetrahedra. In the second O site, O(2) is bonded to one Li(1) and three equivalent Mn(1) atoms to form distorted OLiMn3 tetrahedra that share corners with six equivalent O(1)Li3Mn3 octahedra, corners with six equivalent O(2)LiMn3 tetrahedra, and edges with three equivalent O(1)Li3Mn3 octahedra. The corner-sharing octahedral tilt angles range from 3-62°.