La8Cu3O16 crystallizes in the triclinic P1 space group. There are eight inequivalent La sites. In the first La site, La(1) is bonded in a 4-coordinate geometry to one O(1), one O(15), one O(5), and one O(8) atom. In the second La site, La(2) is bonded in a 4-coordinate geometry to one O(13), one O(2), one O(7), and one O(9) atom. In the third La site, La(3) is bonded in a 4-coordinate geometry to one O(13), one O(14), one O(2), and one O(3) atom. In the fourth La site, La(4) is bonded in a 3-coordinate geometry to one O(14), one O(6), one O(8), and one O(9) atom. In the fifth La site, La(5) is bonded in a 7-coordinate geometry to one Cu(1), one Cu(3), one O(13), one O(15), one O(16), one O(7), and one O(9) atom. In the sixth La site, La(6) is bonded in a 4-coordinate geometry to one O(16), 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(3), one O(5), and one O(7) atom. In the eighth La site, La(8) is bonded in a 7-coordinate geometry to one Cu(1), one Cu(2), one O(1), one O(14), one O(2), one O(3), and one O(6) atom. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted linear geometry to one La(5), one La(8), one O(10), one O(13), one O(2), and one O(4) atom. In the second Cu site, Cu(2) is bonded in a distorted linear geometry to one La(8), one O(11), one O(12), one O(14), and one O(6) atom. In the third Cu site, Cu(3) is bonded in a distorted linear geometry to one La(5), one O(11), one O(12), one O(15), and one O(7) atom. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one La(1) and one La(8) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one La(2), one La(3), one La(8), and one Cu(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one La(3), one La(7), and one La(8) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Cu(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one La(1), one La(6), and one La(7) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one La(4), one La(6), one La(8), and one Cu(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one La(2), one La(5), one La(7), and one Cu(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(1), one La(4), and one La(6) atom. In the ninth O site, O(9) is bonded in a distorted linear geometry to one La(2), one La(4), and one La(5) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Cu(1) atom. In the eleventh O site, O(11) is bonded in a distorted linear geometry to one Cu(2) and one Cu(3) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Cu(2) and one Cu(3) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one La(2), one La(3), one La(5), and one Cu(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one La(3), one La(4), one La(8), and one Cu(2) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one La(1), one La(5), one La(7), and one Cu(3) atom. In the sixteenth O site, O(16) is bonded in a distorted linear geometry to one La(5) and one La(6) atom.
La8Cu3O16 crystallizes in the triclinic P1 space group. There are eight inequivalent La sites. In the first La site, La(1) is bonded in a 4-coordinate geometry to one O(1), one O(15), one O(5), and one O(8) atom. The La(1)-O(1) bond length is 2.27 Å. The La(1)-O(15) bond length is 2.09 Å. The La(1)-O(5) bond length is 2.43 Å. The La(1)-O(8) bond length is 1.98 Å. In the second La site, La(2) is bonded in a 4-coordinate geometry to one O(13), one O(2), one O(7), and one O(9) atom. The La(2)-O(13) bond length is 2.43 Å. The La(2)-O(2) bond length is 1.90 Å. The La(2)-O(7) bond length is 1.96 Å. The La(2)-O(9) bond length is 2.18 Å. In the third La site, La(3) is bonded in a 4-coordinate geometry to one O(13), one O(14), one O(2), and one O(3) atom. The La(3)-O(13) bond length is 1.84 Å. The La(3)-O(14) bond length is 2.06 Å. The La(3)-O(2) bond length is 2.42 Å. The La(3)-O(3) bond length is 2.16 Å. In the fourth La site, La(4) is bonded in a 3-coordinate geometry to one O(14), one O(6), one O(8), and one O(9) atom. The La(4)-O(14) bond length is 2.04 Å. The La(4)-O(6) bond length is 2.46 Å. The La(4)-O(8) bond length is 1.92 Å. The La(4)-O(9) bond length is 2.31 Å. In the fifth La site, La(5) is bonded in a 7-coordinate geometry to one Cu(1), one Cu(3), one O(13), one O(15), one O(16), one O(7), and one O(9) atom. The La(5)-Cu(1) bond length is 2.62 Å. The La(5)-Cu(3) bond length is 2.70 Å. The La(5)-O(13) bond length is 2.01 Å. The La(5)-O(15) bond length is 1.97 Å. The La(5)-O(16) bond length is 2.32 Å. The La(5)-O(7) bond length is 2.46 Å. The La(5)-O(9) bond length is 2.91 Å. In the sixth La site, La(6) is bonded in a 4-coordinate geometry to one O(16), one O(5), one O(6), and one O(8) atom. The La(6)-O(16) bond length is 2.29 Å. The La(6)-O(5) bond length is 2.03 Å. The La(6)-O(6) bond length is 2.00 Å. The La(6)-O(8) bond length is 2.44 Å. In the seventh La site, La(7) is bonded in a 4-coordinate geometry to one O(15), one O(3), one O(5), and one O(7) atom. The La(7)-O(15) bond length is 2.45 Å. The La(7)-O(3) bond length is 2.31 Å. The La(7)-O(5) bond length is 1.89 Å. The La(7)-O(7) bond length is 2.13 Å. In the eighth La site, La(8) is bonded in a 7-coordinate geometry to one Cu(1), one Cu(2), one O(1), one O(14), one O(2), one O(3), and one O(6) atom. The La(8)-Cu(1) bond length is 2.63 Å. The La(8)-Cu(2) bond length is 2.69 Å. The La(8)-O(1) bond length is 2.33 Å. The La(8)-O(14) bond length is 2.45 Å. The La(8)-O(2) bond length is 1.98 Å. The La(8)-O(3) bond length is 2.91 Å. The La(8)-O(6) bond length is 2.03 Å. There are three inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted linear geometry to one La(5), one La(8), one O(10), one O(13), one O(2), and one O(4) atom. The Cu(1)-O(10) bond length is 1.82 Å. The Cu(1)-O(13) bond length is 2.49 Å. The Cu(1)-O(2) bond length is 2.53 Å. The Cu(1)-O(4) bond length is 1.83 Å. In the second Cu site, Cu(2) is bonded in a distorted linear geometry to one La(8), one O(11), one O(12), one O(14), and one O(6) atom. The Cu(2)-O(11) bond length is 1.88 Å. The Cu(2)-O(12) bond length is 1.89 Å. The Cu(2)-O(14) bond length is 2.52 Å. The Cu(2)-O(6) bond length is 2.49 Å. In the third Cu site, Cu(3) is bonded in a distorted linear geometry to one La(5), one O(11), one O(12), one O(15), and one O(7) atom. The Cu(3)-O(11) bond length is 1.90 Å. The Cu(3)-O(12) bond length is 1.86 Å. The Cu(3)-O(15) bond length is 2.52 Å. The Cu(3)-O(7) bond length is 2.50 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded in a distorted linear geometry to one La(1) and one La(8) atom. In the second O site, O(2) is bonded in a 4-coordinate geometry to one La(2), one La(3), one La(8), and one Cu(1) atom. In the third O site, O(3) is bonded in a distorted linear geometry to one La(3), one La(7), and one La(8) atom. In the fourth O site, O(4) is bonded in a single-bond geometry to one Cu(1) atom. In the fifth O site, O(5) is bonded in a distorted trigonal planar geometry to one La(1), one La(6), and one La(7) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to one La(4), one La(6), one La(8), and one Cu(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to one La(2), one La(5), one La(7), and one Cu(3) atom. In the eighth O site, O(8) is bonded in a 3-coordinate geometry to one La(1), one La(4), and one La(6) atom. In the ninth O site, O(9) is bonded in a distorted linear geometry to one La(2), one La(4), and one La(5) atom. In the tenth O site, O(10) is bonded in a single-bond geometry to one Cu(1) atom. In the eleventh O site, O(11) is bonded in a distorted linear geometry to one Cu(2) and one Cu(3) atom. In the twelfth O site, O(12) is bonded in a distorted linear geometry to one Cu(2) and one Cu(3) atom. In the thirteenth O site, O(13) is bonded in a 4-coordinate geometry to one La(2), one La(3), one La(5), and one Cu(1) atom. In the fourteenth O site, O(14) is bonded in a 4-coordinate geometry to one La(3), one La(4), one La(8), and one Cu(2) atom. In the fifteenth O site, O(15) is bonded in a 4-coordinate geometry to one La(1), one La(5), one La(7), and one Cu(3) atom. In the sixteenth O site, O(16) is bonded in a distorted linear geometry to one La(5) and one La(6) atom.