Li2Ta2O3 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(5) atom. In the second Li site, Li(2) is bonded in a bent 120 degrees geometry to one O(4) and one O(6) atom. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(4) atom. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one O(2), one O(5), and one O(6) atom. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a T-shaped geometry to one O(2), one O(3), and one O(5) atom. In the second Ta site, Ta(2) is bonded in a T-shaped geometry to one O(1), one O(2), and one O(3) atom. In the third Ta site, Ta(3) is bonded in a T-shaped geometry to one O(1), one O(4), and one O(6) atom. In the fourth Ta site, Ta(4) is bonded in a T-shaped geometry to one O(4), one O(5), and one O(6) atom. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Ta(2), and one Ta(3) atom. In the second O site, O(2) is bonded to one Li(1), one Li(4), one Ta(1), and one Ta(2) atom to form corner-sharing OLi2Ta2 trigonal pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Ta(1), and one Ta(2) atom to form corner-sharing OLi2Ta2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Ta(3), and one Ta(4) atom to form distorted corner-sharing OLi2Ta2 trigonal pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(4), one Ta(1), and one Ta(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Ta(3), and one Ta(4) atom.
Li2Ta2O3 crystallizes in the triclinic P1 space group. There are four inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one O(1), one O(2), one O(3), and one O(5) atom. The Li(1)-O(1) bond length is 2.31 Å. The Li(1)-O(2) bond length is 2.04 Å. The Li(1)-O(3) bond length is 2.05 Å. The Li(1)-O(5) bond length is 2.37 Å. In the second Li site, Li(2) is bonded in a bent 120 degrees geometry to one O(4) and one O(6) atom. The Li(2)-O(4) bond length is 1.99 Å. The Li(2)-O(6) bond length is 2.01 Å. In the third Li site, Li(3) is bonded in a 3-coordinate geometry to one O(1), one O(3), and one O(4) atom. The Li(3)-O(1) bond length is 2.11 Å. The Li(3)-O(3) bond length is 2.02 Å. The Li(3)-O(4) bond length is 2.27 Å. In the fourth Li site, Li(4) is bonded in a 3-coordinate geometry to one O(2), one O(5), and one O(6) atom. The Li(4)-O(2) bond length is 2.03 Å. The Li(4)-O(5) bond length is 2.15 Å. The Li(4)-O(6) bond length is 2.37 Å. There are four inequivalent Ta sites. In the first Ta site, Ta(1) is bonded in a T-shaped geometry to one O(2), one O(3), and one O(5) atom. The Ta(1)-O(2) bond length is 2.03 Å. The Ta(1)-O(3) bond length is 1.99 Å. The Ta(1)-O(5) bond length is 1.97 Å. In the second Ta site, Ta(2) is bonded in a T-shaped geometry to one O(1), one O(2), and one O(3) atom. The Ta(2)-O(1) bond length is 1.96 Å. The Ta(2)-O(2) bond length is 1.95 Å. The Ta(2)-O(3) bond length is 2.01 Å. In the third Ta site, Ta(3) is bonded in a T-shaped geometry to one O(1), one O(4), and one O(6) atom. The Ta(3)-O(1) bond length is 2.02 Å. The Ta(3)-O(4) bond length is 1.98 Å. The Ta(3)-O(6) bond length is 1.94 Å. In the fourth Ta site, Ta(4) is bonded in a T-shaped geometry to one O(4), one O(5), and one O(6) atom. The Ta(4)-O(4) bond length is 1.98 Å. The Ta(4)-O(5) bond length is 2.01 Å. The Ta(4)-O(6) bond length is 2.03 Å. There are six inequivalent O sites. In the first O site, O(1) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(3), one Ta(2), and one Ta(3) atom. In the second O site, O(2) is bonded to one Li(1), one Li(4), one Ta(1), and one Ta(2) atom to form corner-sharing OLi2Ta2 trigonal pyramids. In the third O site, O(3) is bonded to one Li(1), one Li(3), one Ta(1), and one Ta(2) atom to form corner-sharing OLi2Ta2 trigonal pyramids. In the fourth O site, O(4) is bonded to one Li(2), one Li(3), one Ta(3), and one Ta(4) atom to form distorted corner-sharing OLi2Ta2 trigonal pyramids. In the fifth O site, O(5) is bonded in a rectangular see-saw-like geometry to one Li(1), one Li(4), one Ta(1), and one Ta(4) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one Li(2), one Li(4), one Ta(3), and one Ta(4) atom.