Li5V2Fe3O10 is beta Polonium-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 V(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 V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. 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 V(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Fe(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 2-10°. 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 V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. V(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form VO6 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 V(1)O6 octahedra,  an edgeedge with one Fe(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 2-10°. 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 V(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(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 6-8°. 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 V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. There are five inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(2), one V(1), one Fe(1), and two equivalent Fe(2) atoms to form OLi2VFe3 octahedra that share  a cornercorner with one O(1)Li2VFe3 octahedra,  a cornercorner with one O(2)Li2VFe3 octahedra,  a cornercorner with one O(4)Li3VFe2 octahedra,  a cornercorner with one O(3)Li4V2 octahedra, corners with two equivalent O(5)Li4VFe octahedra,  an edgeedge with one O(1)Li2VFe3 octahedra, edges with two equivalent O(3)Li4V2 octahedra, edges with two equivalent O(5)Li4VFe octahedra, edges with three equivalent O(4)Li3VFe2 octahedra, and edges with four equivalent O(2)Li2VFe3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded to two equivalent Li(2), one V(1), one Fe(1), and two equivalent Fe(2) atoms to form OLi2VFe3 octahedra that share  a cornercorner with one O(1)Li2VFe3 octahedra,  a cornercorner with one O(2)Li2VFe3 octahedra,  a cornercorner with one O(4)Li3VFe2 octahedra,  a cornercorner with one O(5)Li4VFe octahedra, corners with two equivalent O(3)Li4V2 octahedra,  an edgeedge with one O(3)Li4V2 octahedra, edges with two equivalent O(2)Li2VFe3 octahedra, edges with two equivalent O(5)Li4VFe octahedra, edges with three equivalent O(4)Li3VFe2 octahedra, and edges with four equivalent O(1)Li2VFe3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent V(1) atoms to form OLi4V2 octahedra that share  a cornercorner with one O(1)Li2VFe3 octahedra,  a cornercorner with one O(4)Li3VFe2 octahedra,  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(5)Li4VFe octahedra, corners with two equivalent O(2)Li2VFe3 octahedra,  an edgeedge with one O(2)Li2VFe3 octahedra, edges with two equivalent O(1)Li2VFe3 octahedra, edges with two equivalent O(3)Li4V2 octahedra, edges with three equivalent O(4)Li3VFe2 octahedra, and edges with four equivalent O(5)Li4VFe 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 V(1), one Fe(1), and one Fe(2) atom to form OLi3VFe2 octahedra that share  a cornercorner with one O(1)Li2VFe3 octahedra,  a cornercorner with one O(2)Li2VFe3 octahedra,  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(5)Li4VFe octahedra, corners with two equivalent O(4)Li3VFe2 octahedra, edges with three equivalent O(1)Li2VFe3 octahedra, edges with three equivalent O(2)Li2VFe3 octahedra, edges with three equivalent O(3)Li4V2 octahedra, and edges with three equivalent O(5)Li4VFe octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), two equivalent Li(1), one V(1), and one Fe(2) atom to form OLi4VFe octahedra that share  a cornercorner with one O(2)Li2VFe3 octahedra,  a cornercorner with one O(4)Li3VFe2 octahedra,  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(5)Li4VFe octahedra, corners with two equivalent O(1)Li2VFe3 octahedra,  an edgeedge with one O(5)Li4VFe octahedra, edges with two equivalent O(1)Li2VFe3 octahedra, edges with two equivalent O(2)Li2VFe3 octahedra, edges with three equivalent O(4)Li3VFe2 octahedra, and edges with four equivalent O(3)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°.
Li5V2Fe3O10 is beta Polonium-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 V(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 V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-10°. The Li(1)-O(1) bond length is 2.22 Å. The Li(1)-O(4) bond length is 2.19 Å. There is one shorter (2.15 Å) and one longer (2.19 Å) Li(1)-O(3) bond length. There is one shorter (2.11 Å) and one longer (2.14 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 V(1)O6 octahedra,  an edgeedge with one Li(2)O6 octahedra,  an edgeedge with one Li(3)O6 octahedra, edges with two equivalent V(1)O6 octahedra, edges with two equivalent Fe(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 2-10°. The Li(2)-O(1) bond length is 2.20 Å. The Li(2)-O(3) bond length is 2.11 Å. The Li(2)-O(4) bond length is 2.21 Å. The Li(2)-O(5) bond length is 2.07 Å. There is one shorter (2.21 Å) and one longer (2.34 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 V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 4-8°. Both Li(3)-O(3) bond lengths are 2.13 Å. Both Li(3)-O(4) bond lengths are 2.15 Å. Both Li(3)-O(5) bond lengths are 2.11 Å. V(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form VO6 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 V(1)O6 octahedra,  an edgeedge with one Fe(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 2-10°. The V(1)-O(1) bond length is 2.08 Å. The V(1)-O(2) bond length is 2.10 Å. The V(1)-O(4) bond length is 2.05 Å. The V(1)-O(5) bond length is 2.00 Å. There is one shorter (1.89 Å) and one longer (2.03 Å) V(1)-O(3) bond length. 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 V(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, edges with two equivalent Li(1)O6 octahedra, edges with two equivalent V(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 6-8°. Both Fe(1)-O(1) bond lengths are 2.19 Å. Both Fe(1)-O(2) bond lengths are 2.19 Å. Both Fe(1)-O(4) bond lengths are 2.07 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 V(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 5-10°. The Fe(2)-O(4) bond length is 2.03 Å. The Fe(2)-O(5) bond length is 1.98 Å. There is one shorter (2.06 Å) and one longer (2.12 Å) Fe(2)-O(1) bond length. There is one shorter (2.04 Å) and one longer (2.09 Å) Fe(2)-O(2) 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 V(1), one Fe(1), and two equivalent Fe(2) atoms to form OLi2VFe3 octahedra that share  a cornercorner with one O(1)Li2VFe3 octahedra,  a cornercorner with one O(2)Li2VFe3 octahedra,  a cornercorner with one O(4)Li3VFe2 octahedra,  a cornercorner with one O(3)Li4V2 octahedra, corners with two equivalent O(5)Li4VFe octahedra,  an edgeedge with one O(1)Li2VFe3 octahedra, edges with two equivalent O(3)Li4V2 octahedra, edges with two equivalent O(5)Li4VFe octahedra, edges with three equivalent O(4)Li3VFe2 octahedra, and edges with four equivalent O(2)Li2VFe3 octahedra. The corner-sharing octahedral tilt angles range from 0-7°. In the second O site, O(2) is bonded to two equivalent Li(2), one V(1), one Fe(1), and two equivalent Fe(2) atoms to form OLi2VFe3 octahedra that share  a cornercorner with one O(1)Li2VFe3 octahedra,  a cornercorner with one O(2)Li2VFe3 octahedra,  a cornercorner with one O(4)Li3VFe2 octahedra,  a cornercorner with one O(5)Li4VFe octahedra, corners with two equivalent O(3)Li4V2 octahedra,  an edgeedge with one O(3)Li4V2 octahedra, edges with two equivalent O(2)Li2VFe3 octahedra, edges with two equivalent O(5)Li4VFe octahedra, edges with three equivalent O(4)Li3VFe2 octahedra, and edges with four equivalent O(1)Li2VFe3 octahedra. The corner-sharing octahedral tilt angles range from 0-8°. In the third O site, O(3) is bonded to one Li(2), one Li(3), two equivalent Li(1), and two equivalent V(1) atoms to form OLi4V2 octahedra that share  a cornercorner with one O(1)Li2VFe3 octahedra,  a cornercorner with one O(4)Li3VFe2 octahedra,  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(5)Li4VFe octahedra, corners with two equivalent O(2)Li2VFe3 octahedra,  an edgeedge with one O(2)Li2VFe3 octahedra, edges with two equivalent O(1)Li2VFe3 octahedra, edges with two equivalent O(3)Li4V2 octahedra, edges with three equivalent O(4)Li3VFe2 octahedra, and edges with four equivalent O(5)Li4VFe 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 V(1), one Fe(1), and one Fe(2) atom to form OLi3VFe2 octahedra that share  a cornercorner with one O(1)Li2VFe3 octahedra,  a cornercorner with one O(2)Li2VFe3 octahedra,  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(5)Li4VFe octahedra, corners with two equivalent O(4)Li3VFe2 octahedra, edges with three equivalent O(1)Li2VFe3 octahedra, edges with three equivalent O(2)Li2VFe3 octahedra, edges with three equivalent O(3)Li4V2 octahedra, and edges with three equivalent O(5)Li4VFe octahedra. The corner-sharing octahedral tilt angles range from 0-11°. In the fifth O site, O(5) is bonded to one Li(2), one Li(3), two equivalent Li(1), one V(1), and one Fe(2) atom to form OLi4VFe octahedra that share  a cornercorner with one O(2)Li2VFe3 octahedra,  a cornercorner with one O(4)Li3VFe2 octahedra,  a cornercorner with one O(3)Li4V2 octahedra,  a cornercorner with one O(5)Li4VFe octahedra, corners with two equivalent O(1)Li2VFe3 octahedra,  an edgeedge with one O(5)Li4VFe octahedra, edges with two equivalent O(1)Li2VFe3 octahedra, edges with two equivalent O(2)Li2VFe3 octahedra, edges with three equivalent O(4)Li3VFe2 octahedra, and edges with four equivalent O(3)Li4V2 octahedra. The corner-sharing octahedral tilt angles range from 0-11°.