K3Li3TeO6 crystallizes in the orthorhombic Pnma space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(1) atoms. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), and four equivalent O(1) atoms. In the third K site, K(3) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), and four equivalent O(2) atoms. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. Te(1) is bonded in an octahedral geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. There are four inequivalent O sites. In the first O site, O(4) is bonded to one K(1), one K(2), two equivalent Li(2), and one Te(1) atom to form distorted corner-sharing OK2Li2Te trigonal bipyramids. In the second O site, O(1) is bonded in a 7-coordinate geometry to one K(1), one K(3), two equivalent K(2), one Li(1), one Li(2), and one Te(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to two equivalent K(3), one Li(1), one Li(2), and one Te(1) atom. In the fourth O site, O(3) is bonded to one K(2), one K(3), two equivalent Li(2), and one Te(1) atom to form distorted corner-sharing OK2Li2Te trigonal bipyramids.
K3Li3TeO6 crystallizes in the orthorhombic Pnma space group. There are three inequivalent K sites. In the first K site, K(1) is bonded in a 3-coordinate geometry to one O(4) and two equivalent O(1) atoms. The K(1)-O(4) bond length is 2.73 Å. Both K(1)-O(1) bond lengths are 2.74 Å. In the second K site, K(2) is bonded in a 6-coordinate geometry to one O(3), one O(4), and four equivalent O(1) atoms. The K(2)-O(3) bond length is 2.54 Å. The K(2)-O(4) bond length is 2.73 Å. There are two shorter (2.86 Å) and two longer (2.88 Å) K(2)-O(1) bond lengths. In the third K site, K(3) is bonded in a 7-coordinate geometry to one O(3), two equivalent O(1), and four equivalent O(2) atoms. The K(3)-O(3) bond length is 2.75 Å. Both K(3)-O(1) bond lengths are 2.90 Å. There are two shorter (2.63 Å) and two longer (2.86 Å) K(3)-O(2) bond lengths. There are two inequivalent Li sites. In the first Li site, Li(1) is bonded in a square co-planar geometry to two equivalent O(1) and two equivalent O(2) atoms. Both Li(1)-O(1) bond lengths are 2.13 Å. Both Li(1)-O(2) bond lengths are 2.07 Å. In the second Li site, Li(2) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(4) atom. The Li(2)-O(1) bond length is 2.06 Å. The Li(2)-O(2) bond length is 2.03 Å. The Li(2)-O(3) bond length is 1.96 Å. The Li(2)-O(4) bond length is 1.98 Å. Te(1) is bonded in an octahedral geometry to one O(3), one O(4), two equivalent O(1), and two equivalent O(2) atoms. The Te(1)-O(3) bond length is 1.96 Å. The Te(1)-O(4) bond length is 1.99 Å. Both Te(1)-O(1) bond lengths are 1.99 Å. Both Te(1)-O(2) bond lengths are 1.98 Å. There are four inequivalent O sites. In the first O site, O(4) is bonded to one K(1), one K(2), two equivalent Li(2), and one Te(1) atom to form distorted corner-sharing OK2Li2Te trigonal bipyramids. In the second O site, O(1) is bonded in a 7-coordinate geometry to one K(1), one K(3), two equivalent K(2), one Li(1), one Li(2), and one Te(1) atom. In the third O site, O(2) is bonded in a 3-coordinate geometry to two equivalent K(3), one Li(1), one Li(2), and one Te(1) atom. In the fourth O site, O(3) is bonded to one K(2), one K(3), two equivalent Li(2), and one Te(1) atom to form distorted corner-sharing OK2Li2Te trigonal bipyramids.