Li4Mn2Co3Te3O16 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 Te(1)O6 octahedra,  a cornercorner with one Te(2)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Te(3)O6 octahedra, and corners with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-72°. 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 Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Te(3)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, and  an edgeedge with one Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-70°. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(6) atom. 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 Te(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, and corners with two equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. There are two inequivalent Mn sites. In the first Mn site, Mn(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 Mn site, Mn(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 MnO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, corners with two equivalent Te(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and  an edgeedge with one Te(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 Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Te(1)O6 octahedra, edges with two equivalent Te(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-53°. 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(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Te(3)O6 octahedra. 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(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Te(3)O6 octahedra. There are three inequivalent Te sites. In the first Te site, Te(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 TeO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Te(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-54°. In the second Te site, Te(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 distorted TeO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Te(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-54°. In the third Te site, Te(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 TeO6 octahedra that share  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 Mn(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. 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 Mn(1), one Co(2), and one Te(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), one Mn(1), one Te(1), and one Te(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 Te(1), and one Te(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Co(1), one Te(1), and one Te(2) atom. In the fifth O site, O(5) is bonded to one Li(2), one Co(2), one Co(3), and one Te(3) atom to form distorted OLiCo2Te tetrahedra that share corners with two equivalent O(15)LiMnCo2 tetrahedra and corners with three equivalent O(13)LiCo2Te trigonal pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(1), one Co(3), and one Te(3) atom. In the seventh O site, O(7) is bonded to one Li(4), one Mn(1), one Co(1), and one Te(1) atom to form distorted OLiMnCoTe tetrahedra that share  a cornercorner with one O(8)LiMnCoTe tetrahedra,  a cornercorner with one O(13)LiCo2Te trigonal pyramid, and  an edgeedge with one O(8)LiMnCoTe tetrahedra. In the eighth O site, O(8) is bonded to one Li(4), one Mn(1), one Co(1), and one Te(2) atom to form OLiMnCoTe tetrahedra that share  a cornercorner with one O(7)LiMnCoTe tetrahedra,  a cornercorner with one O(13)LiCo2Te trigonal pyramid, and  an edgeedge with one O(7)LiMnCoTe tetrahedra. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), one Te(1), and one Te(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(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 Mn(2), one Co(2), and one Te(3) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(2), one Co(3), and one Te(3) atom. In the thirteenth O site, O(13) is bonded to one Li(4), one Co(2), one Co(3), and one Te(3) atom to form distorted OLiCo2Te trigonal pyramids that share  a cornercorner with one O(7)LiMnCoTe tetrahedra,  a cornercorner with one O(8)LiMnCoTe tetrahedra, corners with three equivalent O(5)LiCo2Te tetrahedra, and  an edgeedge with one O(15)LiMnCo2 tetrahedra. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(2), one Mn(2), one Co(1), and one Te(1) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one Mn(2), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing OLiMnCo2 tetrahedra. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), one Co(1), and one Te(2) atom.
Li4Mn2Co3Te3O16 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 Te(1)O6 octahedra,  a cornercorner with one Te(2)O6 octahedra, corners with two equivalent Co(2)O6 octahedra, corners with two equivalent Co(3)O6 octahedra, corners with two equivalent Te(3)O6 octahedra, and corners with three equivalent Mn(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-72°. The Li(1)-O(11) bond length is 2.13 Å. The Li(1)-O(12) bond length is 2.02 Å. The Li(1)-O(15) bond length is 2.02 Å. The Li(1)-O(3) bond length is 2.31 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 Co(2)O6 octahedra,  a cornercorner with one Co(3)O6 octahedra,  a cornercorner with one Te(3)O6 octahedra, corners with three equivalent Mn(2)O6 octahedra,  an edgeedge with one Co(1)O6 octahedra,  an edgeedge with one Te(1)O6 octahedra, and  an edgeedge with one Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 57-70°. The Li(2)-O(14) bond length is 1.97 Å. The Li(2)-O(16) bond length is 1.95 Å. The Li(2)-O(5) bond length is 1.80 Å. The Li(2)-O(9) bond length is 2.10 Å. In the third Li site, Li(3) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(4), and one O(6) atom. The Li(3)-O(1) bond length is 1.94 Å. The Li(3)-O(10) bond length is 1.89 Å. The Li(3)-O(4) bond length is 1.83 Å. The Li(3)-O(6) bond length is 2.05 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 Te(3)O6 octahedra, corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, and corners with two equivalent Te(2)O6 octahedra. The corner-sharing octahedral tilt angles range from 56-63°. The Li(4)-O(13) bond length is 2.06 Å. The Li(4)-O(2) bond length is 2.13 Å. The Li(4)-O(7) bond length is 2.13 Å. The Li(4)-O(8) bond length is 2.04 Å. There are two inequivalent Mn sites. In the first Mn site, Mn(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 Mn(1)-O(1) bond length is 2.17 Å. The Mn(1)-O(10) bond length is 2.07 Å. The Mn(1)-O(2) bond length is 2.59 Å. The Mn(1)-O(6) bond length is 2.23 Å. The Mn(1)-O(7) bond length is 2.40 Å. The Mn(1)-O(8) bond length is 2.31 Å. In the second Mn site, Mn(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 MnO6 octahedra that share corners with two equivalent Co(1)O6 octahedra, corners with two equivalent Te(1)O6 octahedra, corners with two equivalent Te(2)O6 octahedra, corners with three equivalent Li(1)O4 tetrahedra, corners with three equivalent Li(2)O4 tetrahedra,  an edgeedge with one Co(2)O6 octahedra,  an edgeedge with one Co(3)O6 octahedra, and  an edgeedge with one Te(3)O6 octahedra. The corner-sharing octahedral tilt angles range from 48-54°. The Mn(2)-O(11) bond length is 2.11 Å. The Mn(2)-O(12) bond length is 2.21 Å. The Mn(2)-O(14) bond length is 2.71 Å. The Mn(2)-O(15) bond length is 1.97 Å. The Mn(2)-O(16) bond length is 1.93 Å. The Mn(2)-O(9) bond length is 2.08 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 Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Te(1)O6 octahedra, edges with two equivalent Te(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 51-53°. The Co(1)-O(14) bond length is 2.11 Å. The Co(1)-O(16) bond length is 2.06 Å. The Co(1)-O(3) bond length is 2.19 Å. The Co(1)-O(4) bond length is 2.13 Å. The Co(1)-O(7) bond length is 2.10 Å. The Co(1)-O(8) bond length is 2.13 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(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Co(3)O6 octahedra, and edges with two equivalent Te(3)O6 octahedra. The Co(2)-O(1) bond length is 2.11 Å. The Co(2)-O(10) bond length is 2.13 Å. The Co(2)-O(11) bond length is 2.15 Å. The Co(2)-O(13) bond length is 2.19 Å. The Co(2)-O(15) bond length is 2.14 Å. The Co(2)-O(5) bond length is 2.13 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(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra,  an edgeedge with one Mn(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Te(3)O6 octahedra. The Co(3)-O(10) bond length is 1.90 Å. The Co(3)-O(12) bond length is 2.11 Å. The Co(3)-O(13) bond length is 2.13 Å. The Co(3)-O(15) bond length is 1.97 Å. The Co(3)-O(5) bond length is 2.07 Å. The Co(3)-O(6) bond length is 2.13 Å. There are three inequivalent Te sites. In the first Te site, Te(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 TeO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Te(2)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-54°. The Te(1)-O(14) bond length is 1.92 Å. The Te(1)-O(2) bond length is 2.05 Å. The Te(1)-O(3) bond length is 2.01 Å. The Te(1)-O(4) bond length is 1.95 Å. The Te(1)-O(7) bond length is 1.93 Å. The Te(1)-O(9) bond length is 1.96 Å. In the second Te site, Te(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 distorted TeO6 octahedra that share corners with two equivalent Mn(2)O6 octahedra,  a cornercorner with one Li(1)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, edges with two equivalent Co(1)O6 octahedra, edges with two equivalent Te(1)O6 octahedra, and  an edgeedge with one Li(2)O4 tetrahedra. The corner-sharing octahedral tilt angles range from 48-54°. The Te(2)-O(16) bond length is 2.31 Å. The Te(2)-O(2) bond length is 2.06 Å. The Te(2)-O(3) bond length is 2.07 Å. The Te(2)-O(4) bond length is 2.31 Å. The Te(2)-O(8) bond length is 1.98 Å. The Te(2)-O(9) bond length is 2.46 Å. In the third Te site, Te(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 TeO6 octahedra that share  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 Mn(2)O6 octahedra, edges with two equivalent Co(2)O6 octahedra, and edges with two equivalent Co(3)O6 octahedra. The Te(3)-O(1) bond length is 1.97 Å. The Te(3)-O(11) bond length is 2.02 Å. The Te(3)-O(12) bond length is 1.96 Å. The Te(3)-O(13) bond length is 1.96 Å. The Te(3)-O(5) bond length is 1.95 Å. The Te(3)-O(6) bond length is 1.98 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 Mn(1), one Co(2), and one Te(3) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one Li(4), one Mn(1), one Te(1), and one Te(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 Te(1), and one Te(2) atom. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), one Co(1), one Te(1), and one Te(2) atom. In the fifth O site, O(5) is bonded to one Li(2), one Co(2), one Co(3), and one Te(3) atom to form distorted OLiCo2Te tetrahedra that share corners with two equivalent O(15)LiMnCo2 tetrahedra and corners with three equivalent O(13)LiCo2Te trigonal pyramids. In the sixth O site, O(6) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(1), one Co(3), and one Te(3) atom. In the seventh O site, O(7) is bonded to one Li(4), one Mn(1), one Co(1), and one Te(1) atom to form distorted OLiMnCoTe tetrahedra that share  a cornercorner with one O(8)LiMnCoTe tetrahedra,  a cornercorner with one O(13)LiCo2Te trigonal pyramid, and  an edgeedge with one O(8)LiMnCoTe tetrahedra. In the eighth O site, O(8) is bonded to one Li(4), one Mn(1), one Co(1), and one Te(2) atom to form OLiMnCoTe tetrahedra that share  a cornercorner with one O(7)LiMnCoTe tetrahedra,  a cornercorner with one O(13)LiCo2Te trigonal pyramid, and  an edgeedge with one O(7)LiMnCoTe tetrahedra. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), one Te(1), and one Te(2) atom. In the tenth O site, O(10) is bonded in a rectangular see-saw-like geometry to one Li(3), one Mn(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 Mn(2), one Co(2), and one Te(3) atom. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(1), one Mn(2), one Co(3), and one Te(3) atom. In the thirteenth O site, O(13) is bonded to one Li(4), one Co(2), one Co(3), and one Te(3) atom to form distorted OLiCo2Te trigonal pyramids that share  a cornercorner with one O(7)LiMnCoTe tetrahedra,  a cornercorner with one O(8)LiMnCoTe tetrahedra, corners with three equivalent O(5)LiCo2Te tetrahedra, and  an edgeedge with one O(15)LiMnCo2 tetrahedra. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one Li(2), one Mn(2), one Co(1), and one Te(1) atom. In the fifteenth O site, O(15) is bonded to one Li(1), one Mn(2), one Co(2), and one Co(3) atom to form a mixture of distorted corner and edge-sharing OLiMnCo2 tetrahedra. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(2), one Mn(2), one Co(1), and one Te(2) atom.