Li2FeCoO4 is alpha Po-derived structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form LiO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. Fe(1) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. Co(1) is bonded to six equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent Fe(1) atoms to form OLi3Fe3 octahedra that share corners with three equivalent O(2)Li3Co3 octahedra, corners with three equivalent O(1)Li3Fe3 octahedra, edges with three equivalent O(2)Li3Co3 octahedra, and edges with nine equivalent O(1)Li3Fe3 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to three equivalent Li(1) and three equivalent Co(1) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(2)Li3Co3 octahedra, corners with three equivalent O(1)Li3Fe3 octahedra, edges with three equivalent O(1)Li3Fe3 octahedra, and edges with nine equivalent O(2)Li3Co3 octahedra. The corner-sharing octahedra are not tilted.
Li2FeCoO4 is alpha Po-derived structured and crystallizes in the trigonal R-3m space group. Li(1) is bonded to three equivalent O(1) and three equivalent O(2) atoms to form LiO6 octahedra that share corners with three equivalent Fe(1)O6 octahedra, corners with three equivalent Co(1)O6 octahedra, edges with three equivalent Fe(1)O6 octahedra, edges with three equivalent Co(1)O6 octahedra, and edges with six equivalent Li(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 6-7°. All Li(1)-O(1) bond lengths are 2.12 Å. All Li(1)-O(2) bond lengths are 2.12 Å. Fe(1) is bonded to six equivalent O(1) atoms to form FeO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Fe(1)O6 octahedra. The corner-sharing octahedral tilt angles are 6°. All Fe(1)-O(1) bond lengths are 1.97 Å. Co(1) is bonded to six equivalent O(2) atoms to form CoO6 octahedra that share corners with six equivalent Li(1)O6 octahedra, edges with six equivalent Li(1)O6 octahedra, and edges with six equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Co(1)-O(2) bond lengths are 1.95 Å. There are two inequivalent O sites. In the first O site, O(1) is bonded to three equivalent Li(1) and three equivalent Fe(1) atoms to form OLi3Fe3 octahedra that share corners with three equivalent O(2)Li3Co3 octahedra, corners with three equivalent O(1)Li3Fe3 octahedra, edges with three equivalent O(2)Li3Co3 octahedra, and edges with nine equivalent O(1)Li3Fe3 octahedra. The corner-sharing octahedra are not tilted. In the second O site, O(2) is bonded to three equivalent Li(1) and three equivalent Co(1) atoms to form OLi3Co3 octahedra that share corners with three equivalent O(2)Li3Co3 octahedra, corners with three equivalent O(1)Li3Fe3 octahedra, edges with three equivalent O(1)Li3Fe3 octahedra, and edges with nine equivalent O(2)Li3Co3 octahedra. The corner-sharing octahedra are not tilted.