Li4Fe2Co3Sb3O16 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 Co(1)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Sb(3)O6 octahedra, and corners with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-66°. 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 trigonal pyramids that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Sb(3)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra, and  an edgeedge with one Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-72°. 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 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and  an edgeedge with one Sb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-67°. 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 Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Sb(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, and corners with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom. In the second Fe site, Fe(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 FeO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and  an edgeedge with one Sb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. There are three inequivalent Co sites. In the first Co site, Co(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 CoO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Sb(1)O6 octahedra, edges with two equivalent Sb(2)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 48-49°. In the second Co site, Co(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 CoO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Sb(3)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. In the third Co site, Co(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 CoO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Sb(3)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. There are three inequivalent Sb sites. In the first Sb site, Sb(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 SbO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Sb(2)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 52-53°. In the second Sb site, Sb(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 SbO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 54°. In the third Sb site, Sb(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 SbO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. 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 Fe(1), one Co(2), and one Sb(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), one Fe(1), one Sb(1), and one Sb(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Sb(1), and one Sb(2) atom. In the fourth O site, O(4) is bonded to one Li(3), one Co(1), one Sb(1), and one Sb(2) atom to form distorted corner-sharing OLiCoSb2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Co(2), one Co(3), and one Sb(3) atom to form distorted corner-sharing OLiCo2Sb tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Fe(1), one Co(3), and one Sb(3) atom. In the seventh O site, O(7) is bonded to one Li(4), one Fe(1), one Co(1), and one Sb(1) atom to form distorted OLiFeCoSb tetrahedra that share  a cornercorner with one O(8)LiFeCoSb tetrahedra, corners with two equivalent O(4)LiCoSb2 tetrahedra, and  an edgeedge with one O(8)LiFeCoSb tetrahedra. In the eighth O site, O(8) is bonded to one Li(4), one Fe(1), one Co(1), and one Sb(2) atom to form distorted OLiFeCoSb tetrahedra that share  a cornercorner with one O(7)LiFeCoSb tetrahedra, corners with two equivalent O(4)LiCoSb2 tetrahedra, and  an edgeedge with one O(7)LiFeCoSb tetrahedra. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Fe(2), one Sb(1), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Fe(1), one Co(2), and one Co(3) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(2), one Co(2), and one Sb(3) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(2), one Co(3), and one Sb(3) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Co(2), one Co(3), and one Sb(3) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(2), one Co(1), and one Sb(1) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one Fe(2), one Co(2), and one Co(3) atom to form distorted corner-sharing OLiFeCo2 trigonal pyramids. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Fe(2), one Co(1), and one Sb(2) atom.
Li4Fe2Co3Sb3O16 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 Co(1)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Sb(3)O6 octahedra, and corners with three equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-66°. The Li(1)-O(11) bond length is 1.96 Å. The Li(1)-O(12) bond length is 2.06 Å. The Li(1)-O(15) bond length is 1.96 Å. The Li(1)-O(3) bond length is 2.10 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 trigonal pyramids that share  a cornercorner with one Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Sb(3)O6 octahedra, corners with three equivalent Fe(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Sb(1)O6 octahedra, and  an edgeedge with one Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 54-72°. The Li(2)-O(14) bond length is 1.97 Å. The Li(2)-O(16) bond length is 1.94 Å. The Li(2)-O(5) bond length is 1.77 Å. The Li(2)-O(9) bond length is 2.13 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 tetrahedra that share  a cornercorner with one Co(1)O6 octahedra,  a cornercorner with one Sb(1)O6 octahedra,  a cornercorner with one Sb(2)O6 octahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and  an edgeedge with one Sb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-67°. The Li(3)-O(1) bond length is 1.98 Å. The Li(3)-O(10) bond length is 1.86 Å. The Li(3)-O(4) bond length is 1.82 Å. The Li(3)-O(6) bond length is 1.99 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 Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Sb(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, and corners with two equivalent Sb(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-62°. The Li(4)-O(13) bond length is 1.99 Å. The Li(4)-O(2) bond length is 2.05 Å. The Li(4)-O(7) bond length is 2.01 Å. The Li(4)-O(8) bond length is 2.02 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a 6-coordinate geometry to one O(1), one O(10), one O(2), one O(6), one O(7), and one O(8) atom. The Fe(1)-O(1) bond length is 1.99 Å. The Fe(1)-O(10) bond length is 1.90 Å. The Fe(1)-O(2) bond length is 2.40 Å. The Fe(1)-O(6) bond length is 2.10 Å. The Fe(1)-O(7) bond length is 2.21 Å. The Fe(1)-O(8) bond length is 2.23 Å. In the second Fe site, Fe(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 FeO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Sb(1)O6 octahedra, corners with two equivalent Sb(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and  an edgeedge with one Sb(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. The Fe(2)-O(11) bond length is 2.04 Å. The Fe(2)-O(12) bond length is 2.10 Å. The Fe(2)-O(14) bond length is 2.09 Å. The Fe(2)-O(15) bond length is 1.94 Å. The Fe(2)-O(16) bond length is 2.08 Å. The Fe(2)-O(9) bond length is 2.45 Å. There are three inequivalent Co sites. In the first Co site, Co(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 CoO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Sb(1)O6 octahedra, edges with two equivalent Sb(2)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 48-49°. The Co(1)-O(14) bond length is 2.12 Å. The Co(1)-O(16) bond length is 2.14 Å. The Co(1)-O(3) bond length is 2.12 Å. The Co(1)-O(4) bond length is 2.09 Å. The Co(1)-O(7) bond length is 2.07 Å. The Co(1)-O(8) bond length is 2.11 Å. In the second Co site, Co(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 CoO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, edges with two equivalent Sb(3)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The Co(2)-O(1) bond length is 2.14 Å. The Co(2)-O(10) bond length is 2.14 Å. The Co(2)-O(11) bond length is 2.18 Å. The Co(2)-O(13) bond length is 2.07 Å. The Co(2)-O(15) bond length is 2.12 Å. The Co(2)-O(5) bond length is 2.07 Å. In the third Co site, Co(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 CoO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Sb(3)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The Co(3)-O(10) bond length is 2.00 Å. The Co(3)-O(12) bond length is 1.99 Å. The Co(3)-O(13) bond length is 1.95 Å. The Co(3)-O(15) bond length is 1.94 Å. The Co(3)-O(5) bond length is 1.94 Å. The Co(3)-O(6) bond length is 2.06 Å. There are three inequivalent Sb sites. In the first Sb site, Sb(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 SbO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Sb(2)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 52-53°. The Sb(1)-O(14) bond length is 2.00 Å. The Sb(1)-O(2) bond length is 2.05 Å. The Sb(1)-O(3) bond length is 2.03 Å. The Sb(1)-O(4) bond length is 2.02 Å. The Sb(1)-O(7) bond length is 1.97 Å. The Sb(1)-O(9) bond length is 2.05 Å. In the second Sb site, Sb(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 SbO6 octahedra that share corners with two equivalent Fe(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Sb(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 54°. The Sb(2)-O(16) bond length is 2.00 Å. The Sb(2)-O(2) bond length is 2.05 Å. The Sb(2)-O(3) bond length is 2.04 Å. The Sb(2)-O(4) bond length is 2.02 Å. The Sb(2)-O(8) bond length is 1.98 Å. The Sb(2)-O(9) bond length is 2.05 Å. In the third Sb site, Sb(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 SbO6 octahedra that share  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Fe(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and  an edgeedge with one Li(3)O4 tetrahedra. The Sb(3)-O(1) bond length is 2.04 Å. The Sb(3)-O(11) bond length is 2.02 Å. The Sb(3)-O(12) bond length is 2.06 Å. The Sb(3)-O(13) bond length is 2.00 Å. The Sb(3)-O(5) bond length is 1.99 Å. The Sb(3)-O(6) bond length is 2.07 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 Fe(1), one Co(2), and one Sb(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), one Fe(1), one Sb(1), and one Sb(2) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one Li(1), one Co(1), one Sb(1), and one Sb(2) atom. In the fourth O site, O(4) is bonded to one Li(3), one Co(1), one Sb(1), and one Sb(2) atom to form distorted corner-sharing OLiCoSb2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Co(2), one Co(3), and one Sb(3) atom to form distorted corner-sharing OLiCo2Sb tetrahedra. In the sixth O site, O(6) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Fe(1), one Co(3), and one Sb(3) atom. In the seventh O site, O(7) is bonded to one Li(4), one Fe(1), one Co(1), and one Sb(1) atom to form distorted OLiFeCoSb tetrahedra that share  a cornercorner with one O(8)LiFeCoSb tetrahedra, corners with two equivalent O(4)LiCoSb2 tetrahedra, and  an edgeedge with one O(8)LiFeCoSb tetrahedra. In the eighth O site, O(8) is bonded to one Li(4), one Fe(1), one Co(1), and one Sb(2) atom to form distorted OLiFeCoSb tetrahedra that share  a cornercorner with one O(7)LiFeCoSb tetrahedra, corners with two equivalent O(4)LiCoSb2 tetrahedra, and  an edgeedge with one O(7)LiFeCoSb tetrahedra. In the ninth O site, O(9) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Fe(2), one Sb(1), and one Sb(2) atom. In the tenth O site, O(10) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Fe(1), one Co(2), and one Co(3) atom. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(2), one Co(2), and one Sb(3) atom. In the twelfth O site, O(12) is bonded in a rectangular see-saw-like geometry to one Li(1), one Fe(2), one Co(3), and one Sb(3) atom. In the thirteenth O site, O(13) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Co(2), one Co(3), and one Sb(3) atom. In the fourteenth O site, O(14) is bonded in a rectangular see-saw-like geometry to one Li(2), one Fe(2), one Co(1), and one Sb(1) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one Fe(2), one Co(2), and one Co(3) atom to form distorted corner-sharing OLiFeCo2 trigonal pyramids. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Fe(2), one Co(1), and one Sb(2) atom.