LiLa8Cu3O16 crystallizes in the triclinic P1 space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(16), and one O(4) atom. There are eight inequivalent La sites. In the first La site, La(1) is bonded in a 1-coordinate geometry to one O(1), one O(13), one O(14), one O(15), one O(5), and one O(8) atom. In the second La site, La(2) is bonded in a 1-coordinate geometry to one O(13), one O(2), one O(5), one O(6), one O(7), and one O(9) atom. In the third La site, La(3) is bonded in a 1-coordinate geometry to one O(13), one O(14), one O(15), one O(2), one O(3), and one O(8) atom. In the fourth La site, La(4) is bonded in a 4-coordinate geometry to one O(13), one O(14), one O(15), one O(6), one O(8), and one O(9) atom. In the fifth La site, La(5) is bonded in a 4-coordinate geometry to one O(13), one O(14), one O(15), one O(16), one O(7), and one O(8) atom. In the sixth La site, La(6) is bonded in a 4-coordinate geometry to one O(16), one O(2), one O(5), one O(6), and one O(8) atom. In the seventh La site, La(7) is bonded in a 4-coordinate geometry to one O(15), one O(2), one O(3), one O(5), and one O(6) atom. In the eighth La site, La(8) is bonded in a 4-coordinate geometry to one O(1), one O(14), one O(2), one O(5), one O(6), and one O(7) atom. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one O(10), one O(3), one O(4), and one O(9) atom. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(11), one O(12), and one O(9) atom. In the third Cu site, Cu(3) is bonded in a rectangular see-saw-like geometry to one O(11), one O(12), one O(16), and one O(3) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to one Li(1), one La(1), one La(8), and one Cu(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one La(2), one La(3), one La(6), one La(7), and one La(8) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one La(3), one La(7), one Cu(1), and one Cu(3) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Li(1) and one Cu(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(6), one La(7), and one La(8) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one La(2), one La(4), one La(6), one La(7), and one La(8) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one La(2), one La(5), and one La(8) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one La(1), one La(3), one La(4), one La(5), and one La(6) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one La(2), one La(4), one Cu(1), and one Cu(2) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Li(1) and one Cu(1) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one Cu(2) and one Cu(3) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one Cu(2) and one Cu(3) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), one La(4), and one La(5) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one La(1), one La(3), one La(4), one La(5), and one La(8) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one La(1), one La(3), one La(4), one La(5), and one La(7) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(1), one La(5), one La(6), and one Cu(3) atom.
LiLa8Cu3O16 crystallizes in the triclinic P1 space group. Li(1) is bonded in a rectangular see-saw-like geometry to one O(1), one O(10), one O(16), and one O(4) atom. The Li(1)-O(1) bond length is 1.92 Å. The Li(1)-O(10) bond length is 1.97 Å. The Li(1)-O(16) bond length is 1.90 Å. The Li(1)-O(4) bond length is 1.94 Å. There are eight inequivalent La sites. In the first La site, La(1) is bonded in a 1-coordinate geometry to one O(1), one O(13), one O(14), one O(15), one O(5), and one O(8) atom. The La(1)-O(1) bond length is 1.99 Å. The La(1)-O(13) bond length is 2.52 Å. The La(1)-O(14) bond length is 3.05 Å. The La(1)-O(15) bond length is 2.60 Å. The La(1)-O(5) bond length is 2.69 Å. The La(1)-O(8) bond length is 2.98 Å. In the second La site, La(2) is bonded in a 1-coordinate geometry to one O(13), one O(2), one O(5), one O(6), one O(7), and one O(9) atom. The La(2)-O(13) bond length is 2.68 Å. The La(2)-O(2) bond length is 2.86 Å. The La(2)-O(5) bond length is 2.55 Å. The La(2)-O(6) bond length is 2.93 Å. The La(2)-O(7) bond length is 2.48 Å. The La(2)-O(9) bond length is 1.96 Å. In the third La site, La(3) is bonded in a 1-coordinate geometry to one O(13), one O(14), one O(15), one O(2), one O(3), and one O(8) atom. The La(3)-O(13) bond length is 2.75 Å. The La(3)-O(14) bond length is 2.64 Å. The La(3)-O(15) bond length is 2.94 Å. The La(3)-O(2) bond length is 2.63 Å. The La(3)-O(3) bond length is 1.93 Å. The La(3)-O(8) bond length is 2.57 Å. In the fourth La site, La(4) is bonded in a 4-coordinate geometry to one O(13), one O(14), one O(15), one O(6), one O(8), and one O(9) atom. The La(4)-O(13) bond length is 2.97 Å. The La(4)-O(14) bond length is 3.03 Å. The La(4)-O(15) bond length is 2.52 Å. The La(4)-O(6) bond length is 2.70 Å. The La(4)-O(8) bond length is 2.46 Å. The La(4)-O(9) bond length is 2.04 Å. In the fifth La site, La(5) is bonded in a 4-coordinate geometry to one O(13), one O(14), one O(15), one O(16), one O(7), and one O(8) atom. The La(5)-O(13) bond length is 2.58 Å. The La(5)-O(14) bond length is 2.46 Å. The La(5)-O(15) bond length is 2.97 Å. The La(5)-O(16) bond length is 2.03 Å. The La(5)-O(7) bond length is 2.66 Å. The La(5)-O(8) bond length is 3.01 Å. In the sixth La site, La(6) is bonded in a 4-coordinate geometry to one O(16), one O(2), one O(5), one O(6), and one O(8) atom. The La(6)-O(16) bond length is 2.02 Å. The La(6)-O(2) bond length is 2.51 Å. The La(6)-O(5) bond length is 3.08 Å. The La(6)-O(6) bond length is 2.46 Å. The La(6)-O(8) bond length is 2.74 Å. In the seventh La site, La(7) is bonded in a 4-coordinate geometry to one O(15), one O(2), one O(3), one O(5), and one O(6) atom. The La(7)-O(15) bond length is 2.74 Å. The La(7)-O(2) bond length is 3.00 Å. The La(7)-O(3) bond length is 2.05 Å. The La(7)-O(5) bond length is 2.38 Å. The La(7)-O(6) bond length is 2.55 Å. In the eighth La site, La(8) is bonded in a 4-coordinate geometry to one O(1), one O(14), one O(2), one O(5), one O(6), and one O(7) atom. The La(8)-O(1) bond length is 2.03 Å. The La(8)-O(14) bond length is 2.70 Å. The La(8)-O(2) bond length is 2.50 Å. The La(8)-O(5) bond length is 3.04 Å. The La(8)-O(6) bond length is 3.09 Å. The La(8)-O(7) bond length is 2.49 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one O(10), one O(3), one O(4), and one O(9) atom. The Cu(1)-O(10) bond length is 1.82 Å. The Cu(1)-O(3) bond length is 1.91 Å. The Cu(1)-O(4) bond length is 1.85 Å. The Cu(1)-O(9) bond length is 1.90 Å. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(1), one O(11), one O(12), and one O(9) atom. The Cu(2)-O(1) bond length is 1.87 Å. The Cu(2)-O(11) bond length is 1.90 Å. The Cu(2)-O(12) bond length is 1.89 Å. The Cu(2)-O(9) bond length is 1.90 Å. In the third Cu site, Cu(3) is bonded in a rectangular see-saw-like geometry to one O(11), one O(12), one O(16), and one O(3) atom. The Cu(3)-O(11) bond length is 1.94 Å. The Cu(3)-O(12) bond length is 1.85 Å. The Cu(3)-O(16) bond length is 1.87 Å. The Cu(3)-O(3) bond length is 1.90 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a square co-planar geometry to one Li(1), one La(1), one La(8), and one Cu(2) atom. In the second O site, O(2) is bonded in a 5-coordinate geometry to one La(2), one La(3), one La(6), one La(7), and one La(8) atom. In the third O site, O(3) is bonded in a rectangular see-saw-like geometry to one La(3), one La(7), one Cu(1), and one Cu(3) atom. In the fourth O site, O(4) is bonded in a linear geometry to one Li(1) and one Cu(1) atom. In the fifth O site, O(5) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(6), one La(7), and one La(8) atom. In the sixth O site, O(6) is bonded in a 5-coordinate geometry to one La(2), one La(4), one La(6), one La(7), and one La(8) atom. In the seventh O site, O(7) is bonded in a 3-coordinate geometry to one La(2), one La(5), and one La(8) atom. In the eighth O site, O(8) is bonded in a 5-coordinate geometry to one La(1), one La(3), one La(4), one La(5), and one La(6) atom. In the ninth O site, O(9) is bonded in a rectangular see-saw-like geometry to one La(2), one La(4), one Cu(1), and one Cu(2) atom. In the tenth O site, O(10) is bonded in a linear geometry to one Li(1) and one Cu(1) atom. In the eleventh O site, O(11) is bonded in a linear geometry to one Cu(2) and one Cu(3) atom. In the twelfth O site, O(12) is bonded in a linear geometry to one Cu(2) and one Cu(3) atom. In the thirteenth O site, O(13) is bonded in a 5-coordinate geometry to one La(1), one La(2), one La(3), one La(4), and one La(5) atom. In the fourteenth O site, O(14) is bonded in a 5-coordinate geometry to one La(1), one La(3), one La(4), one La(5), and one La(8) atom. In the fifteenth O site, O(15) is bonded in a 5-coordinate geometry to one La(1), one La(3), one La(4), one La(5), and one La(7) atom. In the sixteenth O site, O(16) is bonded in a rectangular see-saw-like geometry to one Li(1), one La(5), one La(6), and one Cu(3) atom.