Li4Ti2Nb3Fe3O16 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, and corners with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-65°. In the second Li site, Li(2) is bonded to one O(14), one O(16), one O(5), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-65°. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(4), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-68°. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-64°. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form distorted TiO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. In the second Ti site, Ti(2) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form NbO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. In the second Nb site, Nb(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form NbO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Nb(3)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 53-54°. In the third Nb site, Nb(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form NbO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 53-54°. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-54°. In the second Fe site, Fe(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent Nb(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 49°. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), one Nb(2), and one Fe(3) atom. In the second O site, O(2) is bonded to one Li(4), one Ti(1), one Fe(1), and one Fe(2) atom to form distorted corner-sharing OLiTiFe2 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Nb(1), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded to one Li(3), one Nb(1), one Fe(1), and one Fe(2) atom to form corner-sharing OLiNbFe2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Nb(2), one Nb(3), and one Fe(3) atom to form distorted OLiNb2Fe tetrahedra that share corners with two equivalent O(15)LiTiNb2 tetrahedra, corners with two equivalent O(11)LiTiNbFe tetrahedra, and corners with two equivalent O(12)LiTiNbFe tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ti(1), one Nb(3), and one Fe(3) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(1), one Nb(1), and one Fe(1) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(1), one Nb(1), and one Fe(2) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Fe(1), and one Fe(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), one Nb(2), and one Nb(3) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Ti(2), one Nb(2), and one Fe(3) atom to form distorted OLiTiNbFe tetrahedra that share  a cornercorner with one O(15)LiTiNb2 tetrahedra,  a cornercorner with one O(12)LiTiNbFe tetrahedra, corners with two equivalent O(5)LiNb2Fe tetrahedra,  an edgeedge with one O(15)LiTiNb2 tetrahedra, and  an edgeedge with one O(12)LiTiNbFe tetrahedra. In the twelfth O site, O(12) is bonded to one Li(1), one Ti(2), one Nb(3), and one Fe(3) atom to form distorted OLiTiNbFe tetrahedra that share  a cornercorner with one O(15)LiTiNb2 tetrahedra,  a cornercorner with one O(11)LiTiNbFe tetrahedra, corners with two equivalent O(5)LiNb2Fe tetrahedra,  an edgeedge with one O(15)LiTiNb2 tetrahedra, and  an edgeedge with one O(11)LiTiNbFe tetrahedra. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one Nb(2), one Nb(3), and one Fe(3) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Nb(1), and one Fe(1) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one Ti(2), one Nb(2), and one Nb(3) atom to form distorted OLiTiNb2 tetrahedra that share  a cornercorner with one O(11)LiTiNbFe tetrahedra,  a cornercorner with one O(12)LiTiNbFe tetrahedra, corners with two equivalent O(5)LiNb2Fe tetrahedra,  an edgeedge with one O(11)LiTiNbFe tetrahedra, and  an edgeedge with one O(12)LiTiNbFe tetrahedra. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Nb(1), and one Fe(2) atom.
Li4Ti2Nb3Fe3O16 is Hausmannite-derived structured and crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(11), one O(12), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, and corners with three equivalent Ti(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-65°. The Li(1)-O(11) bond length is 2.00 Å. The Li(1)-O(12) bond length is 1.99 Å. The Li(1)-O(15) bond length is 2.00 Å. The Li(1)-O(3) bond length is 1.91 Å. In the second Li site, Li(2) is bonded to one O(14), one O(16), one O(5), and one O(9) atom to form distorted LiO4 tetrahedra that share  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with three equivalent Ti(2)O6 octahedra,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-65°. The Li(2)-O(14) bond length is 2.05 Å. The Li(2)-O(16) bond length is 2.05 Å. The Li(2)-O(5) bond length is 1.86 Å. The Li(2)-O(9) bond length is 1.97 Å. In the third Li site, Li(3) is bonded to one O(1), one O(10), one O(4), and one O(6) atom to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Nb(1)O6 octahedra,  a cornercorner with one Fe(1)O6 octahedra,  a cornercorner with one Fe(2)O6 octahedra, corners with three equivalent Ti(1)O6 octahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-68°. The Li(3)-O(1) bond length is 2.03 Å. The Li(3)-O(10) bond length is 2.15 Å. The Li(3)-O(4) bond length is 1.85 Å. The Li(3)-O(6) bond length is 2.02 Å. In the fourth Li site, Li(4) is bonded to one O(13), one O(2), one O(7), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Nb(2)O6 octahedra,  a cornercorner with one Nb(3)O6 octahedra,  a cornercorner with one Fe(3)O6 octahedra, corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, and corners with three equivalent Ti(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-64°. The Li(4)-O(13) bond length is 1.93 Å. The Li(4)-O(2) bond length is 1.98 Å. The Li(4)-O(7) bond length is 1.98 Å. The Li(4)-O(8) bond length is 1.98 Å. There are two inequivalent Ti sites. In the first Ti site, Ti(1) is bonded to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom to form distorted TiO6 octahedra that share corners with two equivalent Nb(2)O6 octahedra, corners with two equivalent Nb(3)O6 octahedra, corners with two equivalent Fe(3)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Nb(1)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and  an edgeedge with one Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 49-54°. The Ti(1)-O(1) bond length is 1.95 Å. The Ti(1)-O(10) bond length is 2.27 Å. The Ti(1)-O(2) bond length is 1.88 Å. The Ti(1)-O(6) bond length is 1.90 Å. The Ti(1)-O(7) bond length is 2.16 Å. The Ti(1)-O(8) bond length is 2.11 Å. In the second Ti site, Ti(2) is bonded to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom to form distorted TiO6 octahedra that share corners with two equivalent Nb(1)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Nb(2)O6 octahedra,  an edgeedge with one Nb(3)O6 octahedra, and  an edgeedge with one Fe(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-54°. The Ti(2)-O(11) bond length is 2.23 Å. The Ti(2)-O(12) bond length is 2.18 Å. The Ti(2)-O(14) bond length is 1.91 Å. The Ti(2)-O(15) bond length is 2.31 Å. The Ti(2)-O(16) bond length is 1.90 Å. The Ti(2)-O(9) bond length is 1.84 Å. There are three inequivalent Nb sites. In the first Nb site, Nb(1) is bonded to one O(14), one O(16), one O(3), one O(4), one O(7), and one O(8) atom to form NbO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 51°. The Nb(1)-O(14) bond length is 2.18 Å. The Nb(1)-O(16) bond length is 2.18 Å. The Nb(1)-O(3) bond length is 2.02 Å. The Nb(1)-O(4) bond length is 2.01 Å. The Nb(1)-O(7) bond length is 1.99 Å. The Nb(1)-O(8) bond length is 2.00 Å. In the second Nb site, Nb(2) is bonded to one O(1), one O(10), one O(11), one O(13), one O(15), and one O(5) atom to form NbO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Nb(3)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 53-54°. The Nb(2)-O(1) bond length is 2.17 Å. The Nb(2)-O(10) bond length is 2.08 Å. The Nb(2)-O(11) bond length is 1.96 Å. The Nb(2)-O(13) bond length is 2.05 Å. The Nb(2)-O(15) bond length is 2.05 Å. The Nb(2)-O(5) bond length is 2.03 Å. In the third Nb site, Nb(3) is bonded to one O(10), one O(12), one O(13), one O(15), one O(5), and one O(6) atom to form NbO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent Fe(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 53-54°. The Nb(3)-O(10) bond length is 2.06 Å. The Nb(3)-O(12) bond length is 1.99 Å. The Nb(3)-O(13) bond length is 2.05 Å. The Nb(3)-O(15) bond length is 2.08 Å. The Nb(3)-O(5) bond length is 2.08 Å. The Nb(3)-O(6) bond length is 2.18 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 53-54°. The Fe(1)-O(14) bond length is 2.26 Å. The Fe(1)-O(2) bond length is 2.10 Å. The Fe(1)-O(3) bond length is 2.03 Å. The Fe(1)-O(4) bond length is 2.01 Å. The Fe(1)-O(7) bond length is 2.12 Å. The Fe(1)-O(9) bond length is 2.13 Å. In the second Fe site, Fe(2) is bonded to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Ti(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid,  an edgeedge with one Ti(1)O6 octahedra, edges with two equivalent Nb(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 53°. The Fe(2)-O(16) bond length is 2.25 Å. The Fe(2)-O(2) bond length is 2.10 Å. The Fe(2)-O(3) bond length is 2.03 Å. The Fe(2)-O(4) bond length is 2.02 Å. The Fe(2)-O(8) bond length is 2.13 Å. The Fe(2)-O(9) bond length is 2.12 Å. In the third Fe site, Fe(3) is bonded to one O(1), one O(11), one O(12), one O(13), one O(5), and one O(6) atom to form FeO6 octahedra that share corners with two equivalent Ti(1)O6 octahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Ti(2)O6 octahedra, edges with two equivalent Nb(2)O6 octahedra, edges with two equivalent Nb(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 49°. The Fe(3)-O(1) bond length is 2.17 Å. The Fe(3)-O(11) bond length is 2.12 Å. The Fe(3)-O(12) bond length is 2.05 Å. The Fe(3)-O(13) bond length is 2.09 Å. The Fe(3)-O(5) bond length is 2.12 Å. The Fe(3)-O(6) bond length is 2.30 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), one Nb(2), and one Fe(3) atom. In the second O site, O(2) is bonded to one Li(4), one Ti(1), one Fe(1), and one Fe(2) atom to form distorted corner-sharing OLiTiFe2 tetrahedra. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Nb(1), one Fe(1), and one Fe(2) atom. In the fourth O site, O(4) is bonded to one Li(3), one Nb(1), one Fe(1), and one Fe(2) atom to form corner-sharing OLiNbFe2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Nb(2), one Nb(3), and one Fe(3) atom to form distorted OLiNb2Fe tetrahedra that share corners with two equivalent O(15)LiTiNb2 tetrahedra, corners with two equivalent O(11)LiTiNbFe tetrahedra, and corners with two equivalent O(12)LiTiNbFe tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Ti(1), one Nb(3), and one Fe(3) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(1), one Nb(1), and one Fe(1) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(4), one Ti(1), one Nb(1), and one Fe(2) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Fe(1), and one Fe(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one Ti(1), one Nb(2), and one Nb(3) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Ti(2), one Nb(2), and one Fe(3) atom to form distorted OLiTiNbFe tetrahedra that share  a cornercorner with one O(15)LiTiNb2 tetrahedra,  a cornercorner with one O(12)LiTiNbFe tetrahedra, corners with two equivalent O(5)LiNb2Fe tetrahedra,  an edgeedge with one O(15)LiTiNb2 tetrahedra, and  an edgeedge with one O(12)LiTiNbFe tetrahedra. In the twelfth O site, O(12) is bonded to one Li(1), one Ti(2), one Nb(3), and one Fe(3) atom to form distorted OLiTiNbFe tetrahedra that share  a cornercorner with one O(15)LiTiNb2 tetrahedra,  a cornercorner with one O(11)LiTiNbFe tetrahedra, corners with two equivalent O(5)LiNb2Fe tetrahedra,  an edgeedge with one O(15)LiTiNb2 tetrahedra, and  an edgeedge with one O(11)LiTiNbFe tetrahedra. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one Nb(2), one Nb(3), and one Fe(3) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Nb(1), and one Fe(1) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one Ti(2), one Nb(2), and one Nb(3) atom to form distorted OLiTiNb2 tetrahedra that share  a cornercorner with one O(11)LiTiNbFe tetrahedra,  a cornercorner with one O(12)LiTiNbFe tetrahedra, corners with two equivalent O(5)LiNb2Fe tetrahedra,  an edgeedge with one O(11)LiTiNbFe tetrahedra, and  an edgeedge with one O(12)LiTiNbFe tetrahedra. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Ti(2), one Nb(1), and one Fe(2) atom.