LiMnO2 crystallizes in the orthorhombic Pmmn space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Li(1) and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share corners with two equivalent O(1)Li4Mn2 octahedra, corners with four equivalent O(2)Li2Mn4 octahedra, edges with six equivalent O(2)Li2Mn4 octahedra, and edges with six equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second O site, O(2) is bonded to two equivalent Li(1) and four equivalent Mn(1) atoms to form OLi2Mn4 octahedra that share corners with two equivalent O(2)Li2Mn4 octahedra, corners with four equivalent O(1)Li4Mn2 octahedra, edges with six equivalent O(2)Li2Mn4 octahedra, and edges with six equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-11°.
LiMnO2 crystallizes in the orthorhombic Pmmn space group. Li(1) is bonded to two equivalent O(2) and four equivalent O(1) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with four equivalent Mn(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-5°. Both Li(1)-O(2) bond lengths are 2.13 Å. There are two shorter (2.03 Å) and two longer (2.30 Å) Li(1)-O(1) bond lengths. Mn(1) is bonded to two equivalent O(1) and four equivalent O(2) atoms to form MnO6 octahedra that share corners with two equivalent Mn(1)O6 octahedra, corners with four equivalent Li(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Mn(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-11°. Both Mn(1)-O(1) bond lengths are 1.90 Å. There are two shorter (1.95 Å) and two longer (2.31 Å) Mn(1)-O(2) bond lengths. There are two inequivalent O sites. In the first O site, O(1) is bonded to four equivalent Li(1) and two equivalent Mn(1) atoms to form OLi4Mn2 octahedra that share corners with two equivalent O(1)Li4Mn2 octahedra, corners with four equivalent O(2)Li2Mn4 octahedra, edges with six equivalent O(2)Li2Mn4 octahedra, and edges with six equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-5°. In the second O site, O(2) is bonded to two equivalent Li(1) and four equivalent Mn(1) atoms to form OLi2Mn4 octahedra that share corners with two equivalent O(2)Li2Mn4 octahedra, corners with four equivalent O(1)Li4Mn2 octahedra, edges with six equivalent O(2)Li2Mn4 octahedra, and edges with six equivalent O(1)Li4Mn2 octahedra. The corner-sharing octahedral tilt angles range from 1-11°.