Li4Cr3Fe3(TeO8)2 is Spinel-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 Cr(1)O6 octahedra, corners with two equivalent Cr(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 58-62°. 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 trigonal pyramids that share  a cornercorner with one Cr(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 Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-64°. 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 Cr(1)O6 octahedra, corners with three equivalent Te(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-64°. 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 Cr(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 Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-63°. There are two inequivalent Cr sites. In the first Cr site, Cr(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 CrO6 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 Cr(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. In the second Cr site, Cr(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent Te(1)O6 octahedra,  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 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 52°. 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 Cr(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 51°. 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(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Te(2)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 51°. 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 Cr(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 Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. 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 Cr(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. 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 Cr(2), one Fe(2), and one Te(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Cr(1), and one Te(1) atom to form distorted OLiCr2Te tetrahedra that share corners with two equivalent O(4)LiCr2Fe tetrahedra,  a cornercorner with one O(10)LiCrFe2 trigonal pyramid, corners with two equivalent O(6)LiCrFeTe trigonal pyramids,  an edgeedge with one O(3)LiCr2Fe trigonal pyramid, and edges with two equivalent O(6)LiCrFeTe trigonal pyramids. In the third O site, O(3) is bonded to one Li(1), two equivalent Cr(1), and one Fe(1) atom to form distorted OLiCr2Fe trigonal pyramids that share corners with three equivalent O(4)LiCr2Fe tetrahedra, corners with two equivalent O(9)LiCrFeTe trigonal pyramids,  an edgeedge with one O(2)LiCr2Te tetrahedra, and edges with two equivalent O(6)LiCrFeTe trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Cr(1), and one Fe(1) atom to form OLiCr2Fe tetrahedra that share corners with two equivalent O(2)LiCr2Te tetrahedra, corners with three equivalent O(3)LiCr2Fe trigonal pyramids, and corners with four equivalent O(6)LiCrFeTe trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Cr(2), and two equivalent Fe(2) atoms to form OLiCrFe2 tetrahedra that share corners with three equivalent O(10)LiCrFe2 trigonal pyramids and corners with four equivalent O(9)LiCrFeTe trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(4), one Cr(1), one Fe(1), and one Te(1) atom to form distorted OLiCrFeTe trigonal pyramids that share  a cornercorner with one O(2)LiCr2Te tetrahedra, corners with two equivalent O(4)LiCr2Fe tetrahedra,  a cornercorner with one O(10)LiCrFe2 trigonal pyramid,  a cornercorner with one O(6)LiCrFeTe trigonal pyramid,  an edgeedge with one O(2)LiCr2Te tetrahedra,  an edgeedge with one O(3)LiCr2Fe trigonal pyramid, and  an edgeedge with one O(6)LiCrFeTe trigonal pyramid. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Cr(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 to one Li(1), one Cr(2), one Fe(2), and one Te(2) atom to form distorted OLiCrFeTe trigonal pyramids that share corners with two equivalent O(5)LiCrFe2 tetrahedra,  a cornercorner with one O(3)LiCr2Fe trigonal pyramid,  a cornercorner with one O(9)LiCrFeTe trigonal pyramid,  an edgeedge with one O(10)LiCrFe2 trigonal pyramid, and  an edgeedge with one O(9)LiCrFeTe trigonal pyramid. In the tenth O site, O(10) is bonded to one Li(4), one Cr(2), and two equivalent Fe(2) atoms to form distorted OLiCrFe2 trigonal pyramids that share  a cornercorner with one O(2)LiCr2Te tetrahedra, corners with three equivalent O(5)LiCrFe2 tetrahedra, corners with two equivalent O(6)LiCrFeTe trigonal pyramids, and edges with two equivalent O(9)LiCrFeTe trigonal pyramids. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(1), one Fe(1), and one Te(2) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Fe(2), and one Te(2) atom.
Li4Cr3Fe3(TeO8)2 is Spinel-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 Cr(1)O6 octahedra, corners with two equivalent Cr(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 58-62°. The Li(1)-O(12) bond length is 2.01 Å. The Li(1)-O(3) bond length is 1.98 Å. Both Li(1)-O(9) bond lengths are 2.03 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 trigonal pyramids that share  a cornercorner with one Cr(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 Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 63-64°. The Li(2)-O(5) bond length is 1.81 Å. The Li(2)-O(7) bond length is 1.95 Å. Both Li(2)-O(11) bond lengths are 1.98 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 Cr(1)O6 octahedra, corners with three equivalent Te(1)O6 octahedra,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 62-64°. The Li(3)-O(4) bond length is 1.81 Å. The Li(3)-O(8) bond length is 2.00 Å. Both Li(3)-O(1) bond lengths are 1.98 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 Cr(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 Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 58-63°. The Li(4)-O(10) bond length is 2.01 Å. The Li(4)-O(2) bond length is 2.04 Å. Both Li(4)-O(6) bond lengths are 2.01 Å. There are two inequivalent Cr sites. In the first Cr site, Cr(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 CrO6 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 Cr(1)O6 octahedra, edges with two equivalent Fe(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 53°. The Cr(1)-O(11) bond length is 2.08 Å. The Cr(1)-O(2) bond length is 2.04 Å. The Cr(1)-O(3) bond length is 1.99 Å. The Cr(1)-O(4) bond length is 2.00 Å. The Cr(1)-O(6) bond length is 2.04 Å. The Cr(1)-O(7) bond length is 2.06 Å. In the second Cr site, Cr(2) is bonded to one O(10), one O(5), two equivalent O(1), and two equivalent O(9) atoms to form CrO6 octahedra that share corners with two equivalent Te(1)O6 octahedra,  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 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 52°. The Cr(2)-O(10) bond length is 2.00 Å. The Cr(2)-O(5) bond length is 2.00 Å. Both Cr(2)-O(1) bond lengths are 2.08 Å. Both Cr(2)-O(9) bond lengths are 2.04 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 Cr(1)O6 octahedra, and  an edgeedge with one Li(2)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 51°. The Fe(1)-O(3) bond length is 1.98 Å. The Fe(1)-O(4) bond length is 1.96 Å. Both Fe(1)-O(11) bond lengths are 2.07 Å. Both Fe(1)-O(6) bond lengths are 2.09 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(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 trigonal pyramid,  an edgeedge with one Te(2)O6 octahedra, edges with two equivalent Cr(2)O6 octahedra, edges with two equivalent Fe(2)O6 octahedra, and  an edgeedge with one Li(3)O4 trigonal pyramid. The corner-sharing octahedral tilt angles are 51°. The Fe(2)-O(1) bond length is 2.07 Å. The Fe(2)-O(10) bond length is 1.99 Å. The Fe(2)-O(12) bond length is 2.08 Å. The Fe(2)-O(5) bond length is 1.97 Å. The Fe(2)-O(8) bond length is 2.10 Å. The Fe(2)-O(9) bond length is 2.09 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 Cr(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 Cr(1)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-52°. The Te(1)-O(2) bond length is 2.15 Å. The Te(1)-O(8) bond length is 2.05 Å. Both Te(1)-O(1) bond lengths are 2.10 Å. Both Te(1)-O(6) bond lengths are 2.10 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 Cr(1)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 trigonal pyramids,  an edgeedge with one Cr(2)O6 octahedra, and edges with two equivalent Fe(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 51-53°. The Te(2)-O(12) bond length is 2.07 Å. The Te(2)-O(7) bond length is 2.14 Å. Both Te(2)-O(11) bond lengths are 2.08 Å. Both Te(2)-O(9) bond lengths are 2.11 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 Cr(2), one Fe(2), and one Te(1) atom. In the second O site, O(2) is bonded to one Li(4), two equivalent Cr(1), and one Te(1) atom to form distorted OLiCr2Te tetrahedra that share corners with two equivalent O(4)LiCr2Fe tetrahedra,  a cornercorner with one O(10)LiCrFe2 trigonal pyramid, corners with two equivalent O(6)LiCrFeTe trigonal pyramids,  an edgeedge with one O(3)LiCr2Fe trigonal pyramid, and edges with two equivalent O(6)LiCrFeTe trigonal pyramids. In the third O site, O(3) is bonded to one Li(1), two equivalent Cr(1), and one Fe(1) atom to form distorted OLiCr2Fe trigonal pyramids that share corners with three equivalent O(4)LiCr2Fe tetrahedra, corners with two equivalent O(9)LiCrFeTe trigonal pyramids,  an edgeedge with one O(2)LiCr2Te tetrahedra, and edges with two equivalent O(6)LiCrFeTe trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(3), two equivalent Cr(1), and one Fe(1) atom to form OLiCr2Fe tetrahedra that share corners with two equivalent O(2)LiCr2Te tetrahedra, corners with three equivalent O(3)LiCr2Fe trigonal pyramids, and corners with four equivalent O(6)LiCrFeTe trigonal pyramids. In the fifth O site, O(5) is bonded to one Li(2), one Cr(2), and two equivalent Fe(2) atoms to form OLiCrFe2 tetrahedra that share corners with three equivalent O(10)LiCrFe2 trigonal pyramids and corners with four equivalent O(9)LiCrFeTe trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(4), one Cr(1), one Fe(1), and one Te(1) atom to form distorted OLiCrFeTe trigonal pyramids that share  a cornercorner with one O(2)LiCr2Te tetrahedra, corners with two equivalent O(4)LiCr2Fe tetrahedra,  a cornercorner with one O(10)LiCrFe2 trigonal pyramid,  a cornercorner with one O(6)LiCrFeTe trigonal pyramid,  an edgeedge with one O(2)LiCr2Te tetrahedra,  an edgeedge with one O(3)LiCr2Fe trigonal pyramid, and  an edgeedge with one O(6)LiCrFeTe trigonal pyramid. In the seventh O site, O(7) is bonded in a rectangular see-saw-like geometry to one Li(2), two equivalent Cr(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 to one Li(1), one Cr(2), one Fe(2), and one Te(2) atom to form distorted OLiCrFeTe trigonal pyramids that share corners with two equivalent O(5)LiCrFe2 tetrahedra,  a cornercorner with one O(3)LiCr2Fe trigonal pyramid,  a cornercorner with one O(9)LiCrFeTe trigonal pyramid,  an edgeedge with one O(10)LiCrFe2 trigonal pyramid, and  an edgeedge with one O(9)LiCrFeTe trigonal pyramid. In the tenth O site, O(10) is bonded to one Li(4), one Cr(2), and two equivalent Fe(2) atoms to form distorted OLiCrFe2 trigonal pyramids that share  a cornercorner with one O(2)LiCr2Te tetrahedra, corners with three equivalent O(5)LiCrFe2 tetrahedra, corners with two equivalent O(6)LiCrFeTe trigonal pyramids, and edges with two equivalent O(9)LiCrFeTe trigonal pyramids. In the eleventh O site, O(11) is bonded in a rectangular see-saw-like geometry to one Li(2), one Cr(1), one Fe(1), and one Te(2) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), two equivalent Fe(2), and one Te(2) atom.