Li4Fe3Cu3(TeO8)2 is Hausmannite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent Te(2)O6 octahedra, and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Te(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-66°. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent Te(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-68°. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Te(1)O6 octahedra, and corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-63°. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Te(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 Te(1)O6 octahedra, edges with four equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Te(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 Te(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 47-48°. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted CuO6 octahedra that share corners with two equivalent Te(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 Te(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-53°. In the second Cu site, Cu(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CuO6 octahedra that share corners with two equivalent Te(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 Te(2)O6 octahedra, edges with four equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form TeO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. In the second Te site, Te(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form TeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. There are twelve 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(2), one Cu(2), and one Te(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Cu(1), and one Te(1) atom to form distorted OLiCu2Te tetrahedra that share  a cornercorner with one O(10)LiFe2Cu tetrahedra, corners with two equivalent O(4)LiFeCu2 tetrahedra, and  an edgeedge with one O(3)LiFeCu2 tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Fe(1), and two equivalent Cu(1) atoms to form OLiFeCu2 tetrahedra that share corners with three equivalent O(4)LiFeCu2 tetrahedra,  a cornercorner with one O(12)LiFe2Te trigonal pyramid, and  an edgeedge with one O(2)LiCu2Te tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), one Fe(1), and two equivalent Cu(1) atoms to form OLiFeCu2 tetrahedra that share corners with two equivalent O(2)LiCu2Te tetrahedra and corners with three equivalent O(3)LiFeCu2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Fe(2), and one Cu(2) atom to form OLiFe2Cu tetrahedra that share corners with three equivalent O(10)LiFe2Cu tetrahedra and corners with two equivalent O(12)LiFe2Te trigonal pyramids. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(4), one Fe(1), one Cu(1), and one Te(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Cu(1), and one Te(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Fe(2), and one Te(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Fe(2), one Cu(2), and one Te(2) atom. In the tenth O site, O(10) is bonded to one Li(4), two equivalent Fe(2), and one Cu(2) atom to form distorted OLiFe2Cu tetrahedra that share  a cornercorner with one O(2)LiCu2Te tetrahedra, corners with three equivalent O(5)LiFe2Cu tetrahedra, and  an edgeedge with one O(12)LiFe2Te trigonal pyramid. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Fe(1), one Cu(1), and one Te(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Fe(2), and one Te(2) atom to form distorted OLiFe2Te trigonal pyramids that share  a cornercorner with one O(3)LiFeCu2 tetrahedra, corners with two equivalent O(5)LiFe2Cu tetrahedra, and  an edgeedge with one O(10)LiFe2Cu tetrahedra.
Li4Fe3Cu3(TeO8)2 is Hausmannite-derived structured and crystallizes in the monoclinic Cm space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(12), one O(3), and two equivalent O(9) atoms to form LiO4 tetrahedra that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with two equivalent Cu(2)O6 octahedra, corners with three equivalent Te(2)O6 octahedra, and corners with four equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. The Li(1)-O(12) bond length is 2.08 Å. The Li(1)-O(3) bond length is 2.01 Å. Both Li(1)-O(9) bond lengths are 1.99 Å. In the second Li site, Li(2) is bonded to one O(5), one O(7), and two equivalent O(11) atoms to form distorted LiO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Te(2)O6 octahedra,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 61-66°. The Li(2)-O(5) bond length is 1.87 Å. The Li(2)-O(7) bond length is 2.02 Å. Both Li(2)-O(11) bond lengths are 2.06 Å. In the third Li site, Li(3) is bonded to one O(4), one O(8), and two equivalent O(1) atoms to form distorted LiO4 trigonal pyramids that share  a cornercorner with one Fe(1)O6 octahedra, corners with two equivalent Cu(1)O6 octahedra, corners with three equivalent Te(1)O6 octahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-68°. The Li(3)-O(4) bond length is 1.88 Å. The Li(3)-O(8) bond length is 2.16 Å. Both Li(3)-O(1) bond lengths are 2.05 Å. In the fourth Li site, Li(4) is bonded to one O(10), one O(2), and two equivalent O(6) atoms to form LiO4 tetrahedra that share  a cornercorner with one Cu(2)O6 octahedra, corners with two equivalent Fe(1)O6 octahedra, corners with two equivalent Fe(2)O6 octahedra, corners with three equivalent Te(1)O6 octahedra, and corners with four equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 53-63°. The Li(4)-O(10) bond length is 1.97 Å. The Li(4)-O(2) bond length is 2.03 Å. Both Li(4)-O(6) bond lengths are 1.96 Å. There are two inequivalent Fe sites. In the first Fe site, Fe(1) is bonded to one O(3), one O(4), two equivalent O(11), and two equivalent O(6) atoms to form FeO6 octahedra that share corners with two equivalent Te(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 Te(1)O6 octahedra, edges with four equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles are 45°. The Fe(1)-O(3) bond length is 1.99 Å. The Fe(1)-O(4) bond length is 1.99 Å. Both Fe(1)-O(11) bond lengths are 2.09 Å. Both Fe(1)-O(6) bond lengths are 2.06 Å. In the second Fe site, Fe(2) is bonded to one O(1), one O(10), one O(12), one O(5), one O(8), and one O(9) atom to form FeO6 octahedra that share corners with two equivalent Te(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 Te(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, edges with two equivalent Cu(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles range from 47-48°. The Fe(2)-O(1) bond length is 2.13 Å. The Fe(2)-O(10) bond length is 1.96 Å. The Fe(2)-O(12) bond length is 2.12 Å. The Fe(2)-O(5) bond length is 1.96 Å. The Fe(2)-O(8) bond length is 2.10 Å. The Fe(2)-O(9) bond length is 2.07 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(11), one O(2), one O(3), one O(4), one O(6), and one O(7) atom to form distorted CuO6 octahedra that share corners with two equivalent Te(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 Te(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, edges with two equivalent Cu(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 50-53°. The Cu(1)-O(11) bond length is 2.32 Å. The Cu(1)-O(2) bond length is 2.08 Å. The Cu(1)-O(3) bond length is 1.89 Å. The Cu(1)-O(4) bond length is 1.89 Å. The Cu(1)-O(6) bond length is 2.40 Å. The Cu(1)-O(7) bond length is 2.05 Å. In the second Cu site, Cu(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CuO6 octahedra that share corners with two equivalent Te(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 Te(2)O6 octahedra, edges with four equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. The Cu(2)-O(10) bond length is 1.93 Å. The Cu(2)-O(5) bond length is 1.92 Å. Both Cu(2)-O(1) bond lengths are 2.17 Å. Both Cu(2)-O(9) bond lengths are 2.23 Å. There are two inequivalent Te sites. In the first Te site, Te(1) is bonded to one O(2), one O(8), two equivalent O(1), and two equivalent O(6) atoms to form TeO6 octahedra that share corners with two equivalent Cu(2)O6 octahedra, corners with four equivalent Fe(2)O6 octahedra, corners with three equivalent Li(4)O4 tetrahedra, corners with three equivalent Li(3)O4 trigonal pyramids,  an edgeedge with one Fe(1)O6 octahedra, and edges with two equivalent Cu(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 47-53°. The Te(1)-O(2) bond length is 2.03 Å. The Te(1)-O(8) bond length is 2.03 Å. Both Te(1)-O(1) bond lengths are 1.97 Å. Both Te(1)-O(6) bond lengths are 1.96 Å. In the second Te site, Te(2) is bonded to one O(12), one O(7), two equivalent O(11), and two equivalent O(9) atoms to form TeO6 octahedra that share corners with two equivalent Fe(1)O6 octahedra, corners with four equivalent Cu(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Cu(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 45-53°. The Te(2)-O(12) bond length is 2.02 Å. The Te(2)-O(7) bond length is 1.99 Å. Both Te(2)-O(11) bond lengths are 1.95 Å. Both Te(2)-O(9) bond lengths are 1.99 Å. There are twelve 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(2), one Cu(2), and one Te(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Cu(1), and one Te(1) atom to form distorted OLiCu2Te tetrahedra that share  a cornercorner with one O(10)LiFe2Cu tetrahedra, corners with two equivalent O(4)LiFeCu2 tetrahedra, and  an edgeedge with one O(3)LiFeCu2 tetrahedra. In the third O site, O(3) is bonded to one Li(1), one Fe(1), and two equivalent Cu(1) atoms to form OLiFeCu2 tetrahedra that share corners with three equivalent O(4)LiFeCu2 tetrahedra,  a cornercorner with one O(12)LiFe2Te trigonal pyramid, and  an edgeedge with one O(2)LiCu2Te tetrahedra. In the fourth O site, O(4) is bonded to one Li(3), one Fe(1), and two equivalent Cu(1) atoms to form OLiFeCu2 tetrahedra that share corners with two equivalent O(2)LiCu2Te tetrahedra and corners with three equivalent O(3)LiFeCu2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), two equivalent Fe(2), and one Cu(2) atom to form OLiFe2Cu tetrahedra that share corners with three equivalent O(10)LiFe2Cu tetrahedra and corners with two equivalent O(12)LiFe2Te trigonal pyramids. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(4), one Fe(1), one Cu(1), and one Te(1) atom. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Cu(1), and one Te(2) atom. In the eighth O site, O(8) is bonded in a rectangular see-saw-like geometry to one Li(3), two equivalent Fe(2), and one Te(1) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), one Fe(2), one Cu(2), and one Te(2) atom. In the tenth O site, O(10) is bonded to one Li(4), two equivalent Fe(2), and one Cu(2) atom to form distorted OLiFe2Cu tetrahedra that share  a cornercorner with one O(2)LiCu2Te tetrahedra, corners with three equivalent O(5)LiFe2Cu tetrahedra, and  an edgeedge with one O(12)LiFe2Te trigonal pyramid. In the eleventh O site, O(11) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), one Fe(1), one Cu(1), and one Te(2) atom. In the twelfth O site, O(12) is bonded to one Li(1), two equivalent Fe(2), and one Te(2) atom to form distorted OLiFe2Te trigonal pyramids that share  a cornercorner with one O(3)LiFeCu2 tetrahedra, corners with two equivalent O(5)LiFe2Cu tetrahedra, and  an edgeedge with one O(10)LiFe2Cu tetrahedra.