Li4Fe3TeO8 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal non-coplanar geometry to one O(4), one O(7), and one O(8) atom. In the second Li site, Li(2) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(5), and one O(6) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(3), one O(4), and one O(8) atom. In the fourth Li site, Li(4) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(5) atom. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a trigonal non-coplanar geometry to one O(3), one O(7), and one O(8) atom. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form distorted FeO4 tetrahedra that share corners with two equivalent Fe(3)O4 tetrahedra and corners with two equivalent Te(1)O4 trigonal pyramids. In the third Fe site, Fe(3) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form distorted corner-sharing FeO4 tetrahedra. Te(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form distorted TeO4 trigonal pyramids that share corners with two equivalent Fe(2)O4 tetrahedra. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(2), one Li(4), and one Te(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Li(4), one Fe(2), and one Te(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Fe(1), and one Fe(3) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Fe(2), and one Fe(3) atom to form distorted corner-sharing OLi2Fe2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Fe(2), and one Fe(3) atom to form distorted corner-sharing OLi2Fe2 tetrahedra. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Li(2), one Fe(2), and one Te(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Fe(1), and one Fe(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Fe(1), and one Te(1) atom.
Li4Fe3TeO8 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a trigonal non-coplanar geometry to one O(4), one O(7), and one O(8) atom. The Li(1)-O(4) bond length is 1.75 Å. The Li(1)-O(7) bond length is 1.77 Å. The Li(1)-O(8) bond length is 2.10 Å. In the second Li site, Li(2) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(5), and one O(6) atom. The Li(2)-O(1) bond length is 1.83 Å. The Li(2)-O(5) bond length is 1.96 Å. The Li(2)-O(6) bond length is 1.77 Å. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(3), one O(4), and one O(8) atom. The Li(3)-O(3) bond length is 1.76 Å. The Li(3)-O(4) bond length is 1.83 Å. The Li(3)-O(8) bond length is 2.21 Å. In the fourth Li site, Li(4) is bonded in a distorted trigonal non-coplanar geometry to one O(1), one O(2), and one O(5) atom. The Li(4)-O(1) bond length is 1.82 Å. The Li(4)-O(2) bond length is 1.91 Å. The Li(4)-O(5) bond length is 1.79 Å. There are three inequivalent Fe sites. In the first Fe site, Fe(1) is bonded in a trigonal non-coplanar geometry to one O(3), one O(7), and one O(8) atom. The Fe(1)-O(3) bond length is 1.67 Å. The Fe(1)-O(7) bond length is 1.74 Å. The Fe(1)-O(8) bond length is 2.05 Å. In the second Fe site, Fe(2) is bonded to one O(2), one O(4), one O(5), and one O(6) atom to form distorted FeO4 tetrahedra that share corners with two equivalent Fe(3)O4 tetrahedra and corners with two equivalent Te(1)O4 trigonal pyramids. The Fe(2)-O(2) bond length is 1.67 Å. The Fe(2)-O(4) bond length is 2.55 Å. The Fe(2)-O(5) bond length is 1.74 Å. The Fe(2)-O(6) bond length is 1.81 Å. In the third Fe site, Fe(3) is bonded to one O(3), one O(4), one O(5), and one O(7) atom to form distorted corner-sharing FeO4 tetrahedra. The Fe(3)-O(3) bond length is 1.74 Å. The Fe(3)-O(4) bond length is 1.80 Å. The Fe(3)-O(5) bond length is 2.58 Å. The Fe(3)-O(7) bond length is 1.66 Å. Te(1) is bonded to one O(1), one O(2), one O(6), and one O(8) atom to form distorted TeO4 trigonal pyramids that share corners with two equivalent Fe(2)O4 tetrahedra. The Te(1)-O(1) bond length is 1.78 Å. The Te(1)-O(2) bond length is 1.81 Å. The Te(1)-O(6) bond length is 1.78 Å. The Te(1)-O(8) bond length is 2.56 Å. There are eight inequivalent O sites. In the first O site, O(1) is bonded in a trigonal non-coplanar geometry to one Li(2), one Li(4), and one Te(1) atom. In the second O site, O(2) is bonded in a trigonal non-coplanar geometry to one Li(4), one Fe(2), and one Te(1) atom. In the third O site, O(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(3), one Fe(1), and one Fe(3) atom. In the fourth O site, O(4) is bonded to one Li(1), one Li(3), one Fe(2), and one Fe(3) atom to form distorted corner-sharing OLi2Fe2 tetrahedra. In the fifth O site, O(5) is bonded to one Li(2), one Li(4), one Fe(2), and one Fe(3) atom to form distorted corner-sharing OLi2Fe2 tetrahedra. In the sixth O site, O(6) is bonded in a trigonal non-coplanar geometry to one Li(2), one Fe(2), and one Te(1) atom. In the seventh O site, O(7) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Fe(1), and one Fe(3) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to one Li(1), one Li(3), one Fe(1), and one Te(1) atom.