Li5Cu3(TeO5)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(5) atoms. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted linear geometry to two equivalent O(4) atoms. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(5), and two equivalent O(1) atoms. Te(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form edge-sharing TeO6 octahedra. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), two equivalent Cu(2), and one Te(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Cu(2), and one Te(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), and two equivalent Te(1) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), one Cu(1), one Cu(2), and one Te(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), one Cu(2), and one Te(1) atom.
Li5Cu3(TeO5)2 crystallizes in the triclinic P-1 space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(3), one O(4), and two equivalent O(5) atoms. The Li(1)-O(1) bond length is 2.02 Å. The Li(1)-O(3) bond length is 2.54 Å. The Li(1)-O(4) bond length is 2.00 Å. There is one shorter (1.99 Å) and one longer (2.01 Å) Li(1)-O(5) bond length. In the second Li site, Li(2) is bonded in a 6-coordinate geometry to one O(1), one O(3), one O(4), one O(5), and two equivalent O(2) atoms. The Li(2)-O(1) bond length is 2.12 Å. The Li(2)-O(3) bond length is 2.35 Å. The Li(2)-O(4) bond length is 2.55 Å. The Li(2)-O(5) bond length is 2.39 Å. There is one shorter (2.12 Å) and one longer (2.16 Å) Li(2)-O(2) bond length. In the third Li site, Li(3) is bonded in a 4-coordinate geometry to two equivalent O(3), two equivalent O(4), and two equivalent O(5) atoms. Both Li(3)-O(3) bond lengths are 2.00 Å. Both Li(3)-O(4) bond lengths are 2.34 Å. Both Li(3)-O(5) bond lengths are 2.63 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted linear geometry to two equivalent O(4) atoms. Both Cu(1)-O(4) bond lengths are 1.91 Å. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one O(2), one O(4), one O(5), and two equivalent O(1) atoms. The Cu(2)-O(2) bond length is 1.98 Å. The Cu(2)-O(4) bond length is 2.53 Å. The Cu(2)-O(5) bond length is 2.49 Å. There is one shorter (1.99 Å) and one longer (2.39 Å) Cu(2)-O(1) bond length. Te(1) is bonded to one O(1), one O(2), one O(4), one O(5), and two equivalent O(3) atoms to form edge-sharing TeO6 octahedra. The Te(1)-O(1) bond length is 1.94 Å. The Te(1)-O(2) bond length is 1.93 Å. The Te(1)-O(4) bond length is 1.99 Å. The Te(1)-O(5) bond length is 1.90 Å. Both Te(1)-O(3) bond lengths are 2.06 Å. There are five inequivalent O sites. In the first O site, O(1) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), two equivalent Cu(2), and one Te(1) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Cu(2), and one Te(1) atom. In the third O site, O(3) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), and two equivalent Te(1) atoms. In the fourth O site, O(4) is bonded in a 6-coordinate geometry to one Li(1), one Li(2), one Li(3), one Cu(1), one Cu(2), and one Te(1) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to one Li(2), one Li(3), two equivalent Li(1), one Cu(2), and one Te(1) atom.