Li5Fe3(CoO5)2 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-16°. In the third Li site, Li(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. In the second Fe site, Fe(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-13°. Co(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form CoO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-16°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Fe(1), two equivalent Fe(2), and one Co(1) atom to form OLi2Fe3Co octahedra that share  a cornercorner with one O(1)Li2Fe3Co octahedra,  a cornercorner with one O(2)Li2Fe3Co octahedra,  a cornercorner with one O(4)Li3Fe2Co octahedra,  a cornercorner with one O(3)Li4Co2 octahedra, corners with two equivalent O(5)Li4FeCo octahedra,  an edgeedge with one O(1)Li2Fe3Co octahedra, edges with two equivalent O(3)Li4Co2 octahedra, edges with two equivalent O(5)Li4FeCo octahedra, edges with three equivalent O(4)Li3Fe2Co octahedra, and edges with four equivalent O(2)Li2Fe3Co octahedra. The corner-sharing octahedral tilt angles range from 0-17°. In the second O site, O(2) is bonded to two equivalent Li(2), one Fe(1), two equivalent Fe(2), and one Co(1) atom to form OLi2Fe3Co octahedra that share  a cornercorner with one O(1)Li2Fe3Co octahedra,  a cornercorner with one O(2)Li2Fe3Co octahedra,  a cornercorner with one O(4)Li3Fe2Co octahedra,  a cornercorner with one O(5)Li4FeCo octahedra, corners with two equivalent O(3)Li4Co2 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra, edges with two equivalent O(2)Li2Fe3Co octahedra, edges with two equivalent O(5)Li4FeCo octahedra, edges with three equivalent O(4)Li3Fe2Co octahedra, and edges with four equivalent O(1)Li2Fe3Co octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Co(1) atoms to form OLi4Co2 octahedra that share  a cornercorner with one O(1)Li2Fe3Co octahedra,  a cornercorner with one O(4)Li3Fe2Co octahedra,  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one O(5)Li4FeCo octahedra, corners with two equivalent O(2)Li2Fe3Co octahedra,  an edgeedge with one O(2)Li2Fe3Co octahedra, edges with two equivalent O(1)Li2Fe3Co octahedra, edges with two equivalent O(3)Li4Co2 octahedra, edges with three equivalent O(4)Li3Fe2Co octahedra, and edges with four equivalent O(5)Li4FeCo octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Fe(1), one Fe(2), and one Co(1) atom to form OLi3Fe2Co octahedra that share  a cornercorner with one O(1)Li2Fe3Co octahedra,  a cornercorner with one O(2)Li2Fe3Co octahedra,  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one O(5)Li4FeCo octahedra, corners with two equivalent O(4)Li3Fe2Co octahedra, edges with three equivalent O(1)Li2Fe3Co octahedra, edges with three equivalent O(2)Li2Fe3Co octahedra, edges with three equivalent O(3)Li4Co2 octahedra, and edges with three equivalent O(5)Li4FeCo octahedra. The corner-sharing octahedral tilt angles range from 0-17°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Fe(2), and one Co(1) atom to form OLi4FeCo octahedra that share  a cornercorner with one O(2)Li2Fe3Co octahedra,  a cornercorner with one O(4)Li3Fe2Co octahedra,  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one O(5)Li4FeCo octahedra, corners with two equivalent O(1)Li2Fe3Co octahedra,  an edgeedge with one O(5)Li4FeCo octahedra, edges with two equivalent O(1)Li2Fe3Co octahedra, edges with two equivalent O(2)Li2Fe3Co octahedra, edges with three equivalent O(4)Li3Fe2Co octahedra, and edges with four equivalent O(3)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-13°.
Li5Fe3(CoO5)2 is Caswellsilverite-derived structured and crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(4), two equivalent O(3), and two equivalent O(5) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-11°. The Li(1)-O(1) bond length is 2.29 Å. The Li(1)-O(4) bond length is 2.30 Å. There is one shorter (2.06 Å) and one longer (2.18 Å) Li(1)-O(3) bond length. There is one shorter (2.11 Å) and one longer (2.13 Å) Li(1)-O(5) bond length. In the second Li site, Li(2) is bonded to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms to form LiO6 octahedra that share  a cornercorner with one Li(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Co(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-16°. The Li(2)-O(1) bond length is 2.09 Å. The Li(2)-O(3) bond length is 2.04 Å. The Li(2)-O(4) bond length is 2.16 Å. The Li(2)-O(5) bond length is 2.05 Å. There is one shorter (2.30 Å) and one longer (2.39 Å) Li(2)-O(2) bond length. In the third Li site, Li(3) is bonded to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms to form LiO6 octahedra that share corners with two equivalent Li(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with four equivalent Li(1)O6 octahedra, and edges with four equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 7-11°. Both Li(3)-O(3) bond lengths are 2.06 Å. Both Li(3)-O(4) bond lengths are 2.23 Å. Both Li(3)-O(5) bond lengths are 2.18 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to two equivalent O(1), two equivalent O(2), and two equivalent O(4) atoms to form FeO6 octahedra that share corners with two equivalent Li(3)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent Co(1)O6 octahedra, edges with four equivalent Li(2)O6 octahedra, and edges with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-7°. Both Fe(1)-O(1) bond lengths are 2.06 Å. Both Fe(1)-O(2) bond lengths are 2.04 Å. Both Fe(1)-O(4) bond lengths are 2.05 Å. In the second Fe site, Fe(2) is bonded to one O(4), one O(5), two equivalent O(1), and two equivalent O(2) atoms to form FeO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(2)O6 octahedra, corners with three equivalent Li(1)O6 octahedra,  an edgeedge with one Li(1)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with three equivalent Li(2)O6 octahedra, and edges with three equivalent Co(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 1-13°. The Fe(2)-O(4) bond length is 2.03 Å. The Fe(2)-O(5) bond length is 2.01 Å. There is one shorter (2.03 Å) and one longer (2.13 Å) Fe(2)-O(1) bond length. There is one shorter (2.03 Å) and one longer (2.09 Å) Fe(2)-O(2) bond length. Co(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form CoO6 octahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Li(1)O6 octahedra, corners with three equivalent Li(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra, edges with two equivalent Li(2)O6 octahedra, edges with two equivalent Li(3)O6 octahedra, edges with three equivalent Li(1)O6 octahedra, and edges with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-16°. The Co(1)-O(1) bond length is 2.31 Å. The Co(1)-O(2) bond length is 2.18 Å. The Co(1)-O(4) bond length is 2.02 Å. The Co(1)-O(5) bond length is 1.91 Å. There is one shorter (1.95 Å) and one longer (1.99 Å) Co(1)-O(3) bond length. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one Fe(1), two equivalent Fe(2), and one Co(1) atom to form OLi2Fe3Co octahedra that share  a cornercorner with one O(1)Li2Fe3Co octahedra,  a cornercorner with one O(2)Li2Fe3Co octahedra,  a cornercorner with one O(4)Li3Fe2Co octahedra,  a cornercorner with one O(3)Li4Co2 octahedra, corners with two equivalent O(5)Li4FeCo octahedra,  an edgeedge with one O(1)Li2Fe3Co octahedra, edges with two equivalent O(3)Li4Co2 octahedra, edges with two equivalent O(5)Li4FeCo octahedra, edges with three equivalent O(4)Li3Fe2Co octahedra, and edges with four equivalent O(2)Li2Fe3Co octahedra. The corner-sharing octahedral tilt angles range from 0-17°. In the second O site, O(2) is bonded to two equivalent Li(2), one Fe(1), two equivalent Fe(2), and one Co(1) atom to form OLi2Fe3Co octahedra that share  a cornercorner with one O(1)Li2Fe3Co octahedra,  a cornercorner with one O(2)Li2Fe3Co octahedra,  a cornercorner with one O(4)Li3Fe2Co octahedra,  a cornercorner with one O(5)Li4FeCo octahedra, corners with two equivalent O(3)Li4Co2 octahedra,  an edgeedge with one O(3)Li4Co2 octahedra, edges with two equivalent O(2)Li2Fe3Co octahedra, edges with two equivalent O(5)Li4FeCo octahedra, edges with three equivalent O(4)Li3Fe2Co octahedra, and edges with four equivalent O(1)Li2Fe3Co octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent Co(1) atoms to form OLi4Co2 octahedra that share  a cornercorner with one O(1)Li2Fe3Co octahedra,  a cornercorner with one O(4)Li3Fe2Co octahedra,  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one O(5)Li4FeCo octahedra, corners with two equivalent O(2)Li2Fe3Co octahedra,  an edgeedge with one O(2)Li2Fe3Co octahedra, edges with two equivalent O(1)Li2Fe3Co octahedra, edges with two equivalent O(3)Li4Co2 octahedra, edges with three equivalent O(4)Li3Fe2Co octahedra, and edges with four equivalent O(5)Li4FeCo octahedra. The corner-sharing octahedral tilt angles range from 0-10°. In the fourth O site, O(4) is bonded to one Li(1), one Li(2), one Li(3), one Fe(1), one Fe(2), and one Co(1) atom to form OLi3Fe2Co octahedra that share  a cornercorner with one O(1)Li2Fe3Co octahedra,  a cornercorner with one O(2)Li2Fe3Co octahedra,  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one O(5)Li4FeCo octahedra, corners with two equivalent O(4)Li3Fe2Co octahedra, edges with three equivalent O(1)Li2Fe3Co octahedra, edges with three equivalent O(2)Li2Fe3Co octahedra, edges with three equivalent O(3)Li4Co2 octahedra, and edges with three equivalent O(5)Li4FeCo octahedra. The corner-sharing octahedral tilt angles range from 0-17°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), two equivalent Li(1), one Fe(2), and one Co(1) atom to form OLi4FeCo octahedra that share  a cornercorner with one O(2)Li2Fe3Co octahedra,  a cornercorner with one O(4)Li3Fe2Co octahedra,  a cornercorner with one O(3)Li4Co2 octahedra,  a cornercorner with one O(5)Li4FeCo octahedra, corners with two equivalent O(1)Li2Fe3Co octahedra,  an edgeedge with one O(5)Li4FeCo octahedra, edges with two equivalent O(1)Li2Fe3Co octahedra, edges with two equivalent O(2)Li2Fe3Co octahedra, edges with three equivalent O(4)Li3Fe2Co octahedra, and edges with four equivalent O(3)Li4Co2 octahedra. The corner-sharing octahedral tilt angles range from 0-13°.