Li4Fe2Cu3Te3O16 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 Te(1)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra, corners with two equivalent Te(2)O6 octahedra, and corners with two equivalent Te(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-65°. 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 Cu(3)O6 octahedra,  a cornercorner with one Te(2)O6 octahedra,  a cornercorner with one Te(3)O6 octahedra, and  an edgeedge with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-68°. 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 Te(1)O6 octahedra,  an edgeedge with one Cu(3)O6 octahedra,  an edgeedge with one Te(2)O6 octahedra, and  an edgeedge with one Te(3)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. 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 trigonal pyramids that share  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Te(2)O6 octahedra,  a cornercorner with one Te(3)O6 octahedra, and corners with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-66°. 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 in a 6-coordinate geometry to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom. In the third Cu site, Cu(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 CuO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid, edges with two equivalent Te(2)O6 octahedra, edges with two equivalent Te(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. There are three inequivalent Te sites. In the first Te site, Te(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 TeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, corners with two equivalent Li(4)O4 trigonal pyramids, and  an edgeedge with one Li(2)O4 tetrahedra. In the second Te site, Te(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 TeO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid, edges with two equivalent Cu(3)O6 octahedra, edges with two equivalent Te(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. In the third Te site, Te(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 TeO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid, edges with two equivalent Cu(3)O6 octahedra, edges with two equivalent Te(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Fe(1), one Cu(3), and one Te(2) atom to form distorted OLiFeCuTe trigonal pyramids that share  a cornercorner with one O(4)LiCu2Te tetrahedra,  a cornercorner with one O(2)LiFeCu2 tetrahedra,  a cornercorner with one O(12)LiFeCuTe tetrahedra, and corners with two equivalent O(11)LiFeCuTe tetrahedra. In the second O site, O(2) is bonded to one Li(4), one Fe(1), one Cu(1), and one Cu(2) atom to form OLiFeCu2 tetrahedra that share corners with two equivalent O(4)LiCu2Te tetrahedra,  a cornercorner with one O(1)LiFeCuTe trigonal pyramid, and  an edgeedge with one O(3)LiCu2Te tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Cu(1), one Cu(2), and one Te(1) atom to form OLiCu2Te tetrahedra that share  a cornercorner with one O(11)LiFeCuTe tetrahedra,  a cornercorner with one O(12)LiFeCuTe tetrahedra, corners with three equivalent O(4)LiCu2Te tetrahedra, and  an edgeedge with one O(2)LiFeCu2 tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), one Cu(1), one Cu(2), and one Te(1) atom to form OLiCu2Te tetrahedra that share corners with two equivalent O(2)LiFeCu2 tetrahedra, corners with three equivalent O(3)LiCu2Te tetrahedra, and  a cornercorner with one O(1)LiFeCuTe trigonal pyramid. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cu(3), one Te(2), and one Te(3) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(1), one Cu(3), and one Te(3) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Fe(1), one Cu(1), and one Te(1) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Fe(1), one Cu(2), and one Te(1) atom. 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 Cu(1), and one Cu(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 Te(2), and one Te(3) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Fe(2), one Cu(3), and one Te(2) atom to form OLiFeCuTe tetrahedra that share  a cornercorner with one O(3)LiCu2Te tetrahedra,  a cornercorner with one O(12)LiFeCuTe tetrahedra, corners with two equivalent O(1)LiFeCuTe trigonal pyramids, and  an edgeedge with one O(12)LiFeCuTe tetrahedra. In the twelfth O site, O(12) is bonded to one Li(1), one Fe(2), one Cu(3), and one Te(3) atom to form OLiFeCuTe tetrahedra that share  a cornercorner with one O(3)LiCu2Te tetrahedra,  a cornercorner with one O(11)LiFeCuTe tetrahedra,  a cornercorner with one O(1)LiFeCuTe trigonal pyramid, and  an edgeedge with one O(11)LiFeCuTe tetrahedra. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one Cu(3), one Te(2), and one Te(3) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Fe(2), one Cu(1), and one Te(1) atom. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(2), one Te(2), and one Te(3) atom. 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 Cu(2), and one Te(1) atom.
Li4Fe2Cu3Te3O16 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 Te(1)O6 octahedra, corners with two equivalent Cu(3)O6 octahedra, corners with two equivalent Te(2)O6 octahedra, and corners with two equivalent Te(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-65°. The Li(1)-O(11) bond length is 2.10 Å. The Li(1)-O(12) bond length is 2.03 Å. The Li(1)-O(15) bond length is 2.21 Å. The Li(1)-O(3) bond length is 2.05 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 Cu(3)O6 octahedra,  a cornercorner with one Te(2)O6 octahedra,  a cornercorner with one Te(3)O6 octahedra, and  an edgeedge with one Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 50-68°. The Li(2)-O(14) bond length is 2.00 Å. The Li(2)-O(16) bond length is 2.07 Å. The Li(2)-O(5) bond length is 1.81 Å. The Li(2)-O(9) bond length is 1.91 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 Te(1)O6 octahedra,  an edgeedge with one Cu(3)O6 octahedra,  an edgeedge with one Te(2)O6 octahedra, and  an edgeedge with one Te(3)O6 octahedra. The corner-sharing octahedral tilt angles are 52°. The Li(3)-O(1) bond length is 2.01 Å. The Li(3)-O(10) bond length is 2.19 Å. The Li(3)-O(4) bond length is 1.86 Å. The Li(3)-O(6) bond length is 1.98 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 trigonal pyramids that share  a cornercorner with one Cu(3)O6 octahedra,  a cornercorner with one Te(2)O6 octahedra,  a cornercorner with one Te(3)O6 octahedra, and corners with two equivalent Te(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-66°. The Li(4)-O(13) bond length is 2.09 Å. The Li(4)-O(2) bond length is 2.00 Å. The Li(4)-O(7) bond length is 2.06 Å. The Li(4)-O(8) bond length is 2.00 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 2.19 Å. The Fe(1)-O(10) bond length is 2.61 Å. The Fe(1)-O(2) bond length is 1.94 Å. The Fe(1)-O(6) bond length is 1.94 Å. The Fe(1)-O(7) bond length is 2.12 Å. The Fe(1)-O(8) bond length is 2.07 Å. In the second Fe site, Fe(2) is bonded in a 6-coordinate geometry to one O(11), one O(12), one O(14), one O(15), one O(16), and one O(9) atom. The Fe(2)-O(11) bond length is 2.24 Å. The Fe(2)-O(12) bond length is 2.23 Å. The Fe(2)-O(14) bond length is 2.04 Å. The Fe(2)-O(15) bond length is 2.39 Å. The Fe(2)-O(16) bond length is 2.06 Å. The Fe(2)-O(9) bond length is 1.88 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 6-coordinate geometry to one O(14), one O(2), one O(3), one O(4), one O(7), and one O(9) atom. The Cu(1)-O(14) bond length is 2.45 Å. The Cu(1)-O(2) bond length is 2.03 Å. The Cu(1)-O(3) bond length is 2.00 Å. The Cu(1)-O(4) bond length is 2.00 Å. The Cu(1)-O(7) bond length is 2.46 Å. The Cu(1)-O(9) bond length is 2.06 Å. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one O(16), one O(2), one O(3), one O(4), one O(8), and one O(9) atom. The Cu(2)-O(16) bond length is 2.45 Å. The Cu(2)-O(2) bond length is 2.02 Å. The Cu(2)-O(3) bond length is 2.02 Å. The Cu(2)-O(4) bond length is 2.02 Å. The Cu(2)-O(8) bond length is 2.43 Å. The Cu(2)-O(9) bond length is 2.03 Å. In the third Cu site, Cu(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 CuO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid, edges with two equivalent Te(2)O6 octahedra, edges with two equivalent Te(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The Cu(3)-O(1) bond length is 2.24 Å. The Cu(3)-O(11) bond length is 2.12 Å. The Cu(3)-O(12) bond length is 2.07 Å. The Cu(3)-O(13) bond length is 2.27 Å. The Cu(3)-O(5) bond length is 2.23 Å. The Cu(3)-O(6) bond length is 1.99 Å. There are three inequivalent Te sites. In the first Te site, Te(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 TeO6 octahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(3)O4 trigonal pyramid, corners with two equivalent Li(4)O4 trigonal pyramids, and  an edgeedge with one Li(2)O4 tetrahedra. The Te(1)-O(14) bond length is 1.98 Å. The Te(1)-O(16) bond length is 1.98 Å. The Te(1)-O(3) bond length is 2.00 Å. The Te(1)-O(4) bond length is 1.99 Å. The Te(1)-O(7) bond length is 1.96 Å. The Te(1)-O(8) bond length is 1.94 Å. In the second Te site, Te(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 TeO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid, edges with two equivalent Cu(3)O6 octahedra, edges with two equivalent Te(3)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The Te(2)-O(1) bond length is 1.98 Å. The Te(2)-O(10) bond length is 1.97 Å. The Te(2)-O(11) bond length is 1.97 Å. The Te(2)-O(13) bond length is 1.96 Å. The Te(2)-O(15) bond length is 1.98 Å. The Te(2)-O(5) bond length is 1.94 Å. In the third Te site, Te(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 TeO6 octahedra that share  a cornercorner with one Li(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(4)O4 trigonal pyramid, edges with two equivalent Cu(3)O6 octahedra, edges with two equivalent Te(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The Te(3)-O(10) bond length is 2.15 Å. The Te(3)-O(12) bond length is 2.03 Å. The Te(3)-O(13) bond length is 2.15 Å. The Te(3)-O(15) bond length is 2.25 Å. The Te(3)-O(5) bond length is 2.17 Å. The Te(3)-O(6) bond length is 2.36 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(3), one Fe(1), one Cu(3), and one Te(2) atom to form distorted OLiFeCuTe trigonal pyramids that share  a cornercorner with one O(4)LiCu2Te tetrahedra,  a cornercorner with one O(2)LiFeCu2 tetrahedra,  a cornercorner with one O(12)LiFeCuTe tetrahedra, and corners with two equivalent O(11)LiFeCuTe tetrahedra. In the second O site, O(2) is bonded to one Li(4), one Fe(1), one Cu(1), and one Cu(2) atom to form OLiFeCu2 tetrahedra that share corners with two equivalent O(4)LiCu2Te tetrahedra,  a cornercorner with one O(1)LiFeCuTe trigonal pyramid, and  an edgeedge with one O(3)LiCu2Te tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Cu(1), one Cu(2), and one Te(1) atom to form OLiCu2Te tetrahedra that share  a cornercorner with one O(11)LiFeCuTe tetrahedra,  a cornercorner with one O(12)LiFeCuTe tetrahedra, corners with three equivalent O(4)LiCu2Te tetrahedra, and  an edgeedge with one O(2)LiFeCu2 tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), one Cu(1), one Cu(2), and one Te(1) atom to form OLiCu2Te tetrahedra that share corners with two equivalent O(2)LiFeCu2 tetrahedra, corners with three equivalent O(3)LiCu2Te tetrahedra, and  a cornercorner with one O(1)LiFeCuTe trigonal pyramid. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Cu(3), one Te(2), and one Te(3) atom. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Fe(1), one Cu(3), and one Te(3) atom. In the seventh O site, O(7) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Fe(1), one Cu(1), and one Te(1) atom. In the eighth O site, O(8) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Fe(1), one Cu(2), and one Te(1) atom. 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 Cu(1), and one Cu(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 Te(2), and one Te(3) atom. In the eleventh O site, O(11) is bonded to one Li(1), one Fe(2), one Cu(3), and one Te(2) atom to form OLiFeCuTe tetrahedra that share  a cornercorner with one O(3)LiCu2Te tetrahedra,  a cornercorner with one O(12)LiFeCuTe tetrahedra, corners with two equivalent O(1)LiFeCuTe trigonal pyramids, and  an edgeedge with one O(12)LiFeCuTe tetrahedra. In the twelfth O site, O(12) is bonded to one Li(1), one Fe(2), one Cu(3), and one Te(3) atom to form OLiFeCuTe tetrahedra that share  a cornercorner with one O(3)LiCu2Te tetrahedra,  a cornercorner with one O(11)LiFeCuTe tetrahedra,  a cornercorner with one O(1)LiFeCuTe trigonal pyramid, and  an edgeedge with one O(11)LiFeCuTe tetrahedra. In the thirteenth O site, O(13) is bonded in a rectangular see-saw-like geometry to one Li(4), one Cu(3), one Te(2), and one Te(3) atom. In the fourteenth O site, O(14) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Fe(2), one Cu(1), and one Te(1) atom. In the fifteenth O site, O(15) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Fe(2), one Te(2), and one Te(3) atom. 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 Cu(2), and one Te(1) atom.