LiCuBO3 crystallizes in the triclinic P1 space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(15), two equivalent O(1), and two equivalent O(3) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Cu(3)O4 tetrahedra, corners with two equivalent Cu(7)O4 tetrahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. In the second Li site, Li(2) is bonded to one O(5), two equivalent O(2), and two equivalent O(6) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Cu(8)O4 tetrahedra and edges with two equivalent Li(2)O5 trigonal bipyramids. In the third Li site, Li(3) is bonded to one O(4), two equivalent O(7), and two equivalent O(9) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Cu(6)O4 tetrahedra and edges with two equivalent Li(3)O5 trigonal bipyramids. In the fourth Li site, Li(4) is bonded to one O(27), two equivalent O(10), and two equivalent O(8) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Cu(3)O4 tetrahedra, corners with two equivalent Cu(9)O4 tetrahedra, and edges with two equivalent Li(4)O5 trigonal bipyramids. In the fifth Li site, Li(5) is bonded to one O(16), two equivalent O(11), and two equivalent O(14) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Cu(5)O4 tetrahedra and edges with two equivalent Li(5)O5 trigonal bipyramids. In the sixth Li site, Li(6) is bonded to one O(18), two equivalent O(13), and two equivalent O(21) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Cu(3)O4 tetrahedra, corners with two equivalent Cu(5)O4 tetrahedra, corners with two equivalent Cu(6)O4 tetrahedra, and edges with two equivalent Li(6)O5 trigonal bipyramids. In the seventh Li site, Li(7) is bonded to one O(20), two equivalent O(12), and two equivalent O(19) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Cu(7)O4 tetrahedra, corners with two equivalent Cu(9)O4 tetrahedra, and edges with two equivalent Li(7)O5 trigonal bipyramids. In the eighth Li site, Li(8) is bonded to one O(17), two equivalent O(23), and two equivalent O(24) atoms to form distorted LiO5 square pyramids that share corners with two equivalent Cu(5)O4 tetrahedra, corners with two equivalent Cu(7)O4 tetrahedra, corners with two equivalent Cu(8)O4 tetrahedra, and edges with two equivalent Li(8)O5 square pyramids. In the ninth Li site, Li(9) is bonded to one O(26), two equivalent O(22), and two equivalent O(25) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Cu(6)O4 tetrahedra, corners with two equivalent Cu(8)O4 tetrahedra, corners with two equivalent Cu(9)O4 tetrahedra, and edges with two equivalent Li(9)O5 trigonal bipyramids. There are nine inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one O(3), one O(7), and two equivalent O(4) atoms. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one O(10), one O(6), and two equivalent O(5) atoms. In the third Cu site, Cu(3) is bonded to one O(13), one O(8), and two equivalent O(15) atoms to form distorted CuO4 tetrahedra that share corners with two equivalent Cu(3)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with two equivalent Li(4)O5 trigonal bipyramids, and corners with two equivalent Li(6)O5 trigonal bipyramids. In the fourth Cu site, Cu(4) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(12), and two equivalent O(16) atoms. In the fifth Cu site, Cu(5) is bonded to one O(14), one O(21), and two equivalent O(17) atoms to form CuO4 tetrahedra that share corners with two equivalent Li(8)O5 square pyramids, corners with two equivalent Cu(5)O4 tetrahedra, corners with two equivalent Li(5)O5 trigonal bipyramids, and corners with two equivalent Li(6)O5 trigonal bipyramids. In the sixth Cu site, Cu(6) is bonded to one O(22), one O(9), and two equivalent O(18) atoms to form CuO4 tetrahedra that share corners with two equivalent Cu(6)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(6)O5 trigonal bipyramids, and corners with two equivalent Li(9)O5 trigonal bipyramids. In the seventh Cu site, Cu(7) is bonded to one O(1), one O(24), and two equivalent O(20) atoms to form distorted CuO4 tetrahedra that share corners with two equivalent Li(8)O5 square pyramids, corners with two equivalent Cu(7)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and corners with two equivalent Li(7)O5 trigonal bipyramids. In the eighth Cu site, Cu(8) is bonded to one O(2), one O(23), and two equivalent O(26) atoms to form CuO4 tetrahedra that share corners with two equivalent Li(8)O5 square pyramids, corners with two equivalent Cu(8)O4 tetrahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, and corners with two equivalent Li(9)O5 trigonal bipyramids. In the ninth Cu site, Cu(9) is bonded to one O(19), one O(25), and two equivalent O(27) atoms to form distorted CuO4 tetrahedra that share corners with two equivalent Cu(9)O4 tetrahedra, corners with two equivalent Li(4)O5 trigonal bipyramids, corners with two equivalent Li(7)O5 trigonal bipyramids, and corners with two equivalent Li(9)O5 trigonal bipyramids. There are nine inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(24), and one O(3) atom. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(11), one O(6), and one O(7) atom. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(10), one O(13), and one O(14) atom. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(12), one O(25), and one O(9) atom. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(15), one O(18), and one O(4) atom. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(16), one O(17), and one O(20) atom. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(21), one O(22), and one O(23) atom. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one O(1), one O(19), and one O(8) atom. In the ninth B site, B(9) is bonded in a trigonal planar geometry to one O(26), one O(27), and one O(5) atom. There are twenty-seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Cu(7), and one B(8) atom. In the second O site, O(2) is bonded to two equivalent Li(2), one Cu(8), and one B(1) atom to form distorted OLi2CuB tetrahedra that share corners with two equivalent O(2)Li2CuB tetrahedra, corners with two equivalent O(26)LiCu2B tetrahedra,  a cornercorner with one O(24)Li2CuB trigonal pyramid, and  a cornercorner with one O(3)Li2CuB trigonal pyramid. In the third O site, O(3) is bonded to two equivalent Li(1), one Cu(1), and one B(1) atom to form distorted OLi2CuB trigonal pyramids that share  a cornercorner with one O(2)Li2CuB tetrahedra, corners with two equivalent O(15)LiCu2B tetrahedra,  a cornercorner with one O(24)Li2CuB trigonal pyramid, and corners with two equivalent O(3)Li2CuB trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), two equivalent Cu(1), and one B(5) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Cu(2), and one B(9) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Cu(2), and one B(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Li(3), one Cu(1), and one B(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to two equivalent Li(4), one Cu(3), and one B(8) atom. In the ninth O site, O(9) is bonded to two equivalent Li(3), one Cu(6), and one B(4) atom to form distorted OLi2CuB tetrahedra that share corners with two equivalent O(9)Li2CuB tetrahedra, corners with two equivalent O(18)LiCu2B tetrahedra,  a cornercorner with one O(12)Li2CuB trigonal pyramid, and  a cornercorner with one O(25)Li2CuB trigonal pyramid. In the tenth O site, O(10) is bonded to two equivalent Li(4), one Cu(2), and one B(3) atom to form distorted OLi2CuB trigonal pyramids that share  a cornercorner with one O(14)Li2CuB tetrahedra, corners with two equivalent O(27)LiCu2B tetrahedra,  a cornercorner with one O(13)Li2CuB trigonal pyramid, and corners with two equivalent O(10)Li2CuB trigonal pyramids. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to two equivalent Li(5), one Cu(4), and one B(2) atom. In the twelfth O site, O(12) is bonded to two equivalent Li(7), one Cu(4), and one B(4) atom to form distorted OLi2CuB trigonal pyramids that share  a cornercorner with one O(9)Li2CuB tetrahedra, corners with two equivalent O(20)LiCu2B tetrahedra,  a cornercorner with one O(25)Li2CuB trigonal pyramid, and corners with two equivalent O(12)Li2CuB trigonal pyramids. In the thirteenth O site, O(13) is bonded to two equivalent Li(6), one Cu(3), and one B(3) atom to form distorted OLi2CuB trigonal pyramids that share  a cornercorner with one O(14)Li2CuB tetrahedra, corners with two equivalent O(15)LiCu2B tetrahedra, corners with two equivalent O(18)LiCu2B tetrahedra,  a cornercorner with one O(10)Li2CuB trigonal pyramid, and corners with two equivalent O(13)Li2CuB trigonal pyramids. In the fourteenth O site, O(14) is bonded to two equivalent Li(5), one Cu(5), and one B(3) atom to form distorted OLi2CuB tetrahedra that share corners with two equivalent O(14)Li2CuB tetrahedra, corners with two equivalent O(17)LiCu2B tetrahedra,  a cornercorner with one O(10)Li2CuB trigonal pyramid, and  a cornercorner with one O(13)Li2CuB trigonal pyramid. In the fifteenth O site, O(15) is bonded to one Li(1), two equivalent Cu(3), and one B(5) atom to form distorted OLiCu2B tetrahedra that share  a cornercorner with one O(18)LiCu2B tetrahedra, corners with two equivalent O(15)LiCu2B tetrahedra, corners with two equivalent O(13)Li2CuB trigonal pyramids, and corners with two equivalent O(3)Li2CuB trigonal pyramids. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), two equivalent Cu(4), and one B(6) atom. In the seventeenth O site, O(17) is bonded to one Li(8), two equivalent Cu(5), and one B(6) atom to form distorted OLiCu2B tetrahedra that share  a cornercorner with one O(20)LiCu2B tetrahedra, corners with two equivalent O(14)Li2CuB tetrahedra, corners with two equivalent O(17)LiCu2B tetrahedra, and corners with two equivalent O(24)Li2CuB trigonal pyramids. In the eighteenth O site, O(18) is bonded to one Li(6), two equivalent Cu(6), and one B(5) atom to form distorted OLiCu2B tetrahedra that share  a cornercorner with one O(15)LiCu2B tetrahedra, corners with two equivalent O(9)Li2CuB tetrahedra, corners with two equivalent O(18)LiCu2B tetrahedra, and corners with two equivalent O(13)Li2CuB trigonal pyramids. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to two equivalent Li(7), one Cu(9), and one B(8) atom. In the twentieth O site, O(20) is bonded to one Li(7), two equivalent Cu(7), and one B(6) atom to form distorted OLiCu2B tetrahedra that share  a cornercorner with one O(17)LiCu2B tetrahedra, corners with two equivalent O(20)LiCu2B tetrahedra, corners with two equivalent O(12)Li2CuB trigonal pyramids, and corners with two equivalent O(24)Li2CuB trigonal pyramids. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to two equivalent Li(6), one Cu(5), and one B(7) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to two equivalent Li(9), one Cu(6), and one B(7) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to two equivalent Li(8), one Cu(8), and one B(7) atom. In the twenty-fourth O site, O(24) is bonded to two equivalent Li(8), one Cu(7), and one B(1) atom to form distorted OLi2CuB trigonal pyramids that share  a cornercorner with one O(2)Li2CuB tetrahedra, corners with two equivalent O(17)LiCu2B tetrahedra, corners with two equivalent O(20)LiCu2B tetrahedra,  a cornercorner with one O(3)Li2CuB trigonal pyramid, and corners with two equivalent O(24)Li2CuB trigonal pyramids. In the twenty-fifth O site, O(25) is bonded to two equivalent Li(9), one Cu(9), and one B(4) atom to form distorted OLi2CuB trigonal pyramids that share  a cornercorner with one O(9)Li2CuB tetrahedra, corners with two equivalent O(26)LiCu2B tetrahedra, corners with two equivalent O(27)LiCu2B tetrahedra,  a cornercorner with one O(12)Li2CuB trigonal pyramid, and corners with two equivalent O(25)Li2CuB trigonal pyramids. In the twenty-sixth O site, O(26) is bonded to one Li(9), two equivalent Cu(8), and one B(9) atom to form distorted OLiCu2B tetrahedra that share  a cornercorner with one O(27)LiCu2B tetrahedra, corners with two equivalent O(2)Li2CuB tetrahedra, corners with two equivalent O(26)LiCu2B tetrahedra, and corners with two equivalent O(25)Li2CuB trigonal pyramids. In the twenty-seventh O site, O(27) is bonded to one Li(4), two equivalent Cu(9), and one B(9) atom to form distorted OLiCu2B tetrahedra that share  a cornercorner with one O(26)LiCu2B tetrahedra, corners with two equivalent O(27)LiCu2B tetrahedra, corners with two equivalent O(10)Li2CuB trigonal pyramids, and corners with two equivalent O(25)Li2CuB trigonal pyramids.
LiCuBO3 crystallizes in the triclinic P1 space group. There are nine inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(15), two equivalent O(1), and two equivalent O(3) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Cu(3)O4 tetrahedra, corners with two equivalent Cu(7)O4 tetrahedra, and edges with two equivalent Li(1)O5 trigonal bipyramids. The Li(1)-O(15) bond length is 2.03 Å. There is one shorter (2.08 Å) and one longer (2.12 Å) Li(1)-O(1) bond length. There is one shorter (2.10 Å) and one longer (2.37 Å) Li(1)-O(3) bond length. In the second Li site, Li(2) is bonded to one O(5), two equivalent O(2), and two equivalent O(6) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Cu(8)O4 tetrahedra and edges with two equivalent Li(2)O5 trigonal bipyramids. The Li(2)-O(5) bond length is 2.00 Å. There is one shorter (2.11 Å) and one longer (2.17 Å) Li(2)-O(2) bond length. There is one shorter (2.08 Å) and one longer (2.12 Å) Li(2)-O(6) bond length. In the third Li site, Li(3) is bonded to one O(4), two equivalent O(7), and two equivalent O(9) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Cu(6)O4 tetrahedra and edges with two equivalent Li(3)O5 trigonal bipyramids. The Li(3)-O(4) bond length is 2.00 Å. There is one shorter (2.10 Å) and one longer (2.12 Å) Li(3)-O(7) bond length. There is one shorter (2.10 Å) and one longer (2.13 Å) Li(3)-O(9) bond length. In the fourth Li site, Li(4) is bonded to one O(27), two equivalent O(10), and two equivalent O(8) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Cu(3)O4 tetrahedra, corners with two equivalent Cu(9)O4 tetrahedra, and edges with two equivalent Li(4)O5 trigonal bipyramids. The Li(4)-O(27) bond length is 2.04 Å. There is one shorter (2.07 Å) and one longer (2.40 Å) Li(4)-O(10) bond length. There is one shorter (2.05 Å) and one longer (2.12 Å) Li(4)-O(8) bond length. In the fifth Li site, Li(5) is bonded to one O(16), two equivalent O(11), and two equivalent O(14) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Cu(5)O4 tetrahedra and edges with two equivalent Li(5)O5 trigonal bipyramids. The Li(5)-O(16) bond length is 2.01 Å. There is one shorter (2.11 Å) and one longer (2.12 Å) Li(5)-O(11) bond length. There is one shorter (2.10 Å) and one longer (2.15 Å) Li(5)-O(14) bond length. In the sixth Li site, Li(6) is bonded to one O(18), two equivalent O(13), and two equivalent O(21) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Cu(3)O4 tetrahedra, corners with two equivalent Cu(5)O4 tetrahedra, corners with two equivalent Cu(6)O4 tetrahedra, and edges with two equivalent Li(6)O5 trigonal bipyramids. The Li(6)-O(18) bond length is 2.03 Å. There is one shorter (2.08 Å) and one longer (2.31 Å) Li(6)-O(13) bond length. There is one shorter (2.08 Å) and one longer (2.12 Å) Li(6)-O(21) bond length. In the seventh Li site, Li(7) is bonded to one O(20), two equivalent O(12), and two equivalent O(19) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Cu(7)O4 tetrahedra, corners with two equivalent Cu(9)O4 tetrahedra, and edges with two equivalent Li(7)O5 trigonal bipyramids. The Li(7)-O(20) bond length is 2.05 Å. There is one shorter (2.07 Å) and one longer (2.41 Å) Li(7)-O(12) bond length. There is one shorter (2.07 Å) and one longer (2.12 Å) Li(7)-O(19) bond length. In the eighth Li site, Li(8) is bonded to one O(17), two equivalent O(23), and two equivalent O(24) atoms to form distorted LiO5 square pyramids that share corners with two equivalent Cu(5)O4 tetrahedra, corners with two equivalent Cu(7)O4 tetrahedra, corners with two equivalent Cu(8)O4 tetrahedra, and edges with two equivalent Li(8)O5 square pyramids. The Li(8)-O(17) bond length is 2.03 Å. There is one shorter (2.07 Å) and one longer (2.12 Å) Li(8)-O(23) bond length. There is one shorter (2.09 Å) and one longer (2.28 Å) Li(8)-O(24) bond length. In the ninth Li site, Li(9) is bonded to one O(26), two equivalent O(22), and two equivalent O(25) atoms to form distorted LiO5 trigonal bipyramids that share corners with two equivalent Cu(6)O4 tetrahedra, corners with two equivalent Cu(8)O4 tetrahedra, corners with two equivalent Cu(9)O4 tetrahedra, and edges with two equivalent Li(9)O5 trigonal bipyramids. The Li(9)-O(26) bond length is 2.03 Å. There is one shorter (2.07 Å) and one longer (2.13 Å) Li(9)-O(22) bond length. There is one shorter (2.05 Å) and one longer (2.31 Å) Li(9)-O(25) bond length. There are nine inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 4-coordinate geometry to one O(3), one O(7), and two equivalent O(4) atoms. The Cu(1)-O(3) bond length is 1.90 Å. The Cu(1)-O(7) bond length is 1.95 Å. There is one shorter (2.11 Å) and one longer (2.13 Å) Cu(1)-O(4) bond length. In the second Cu site, Cu(2) is bonded in a 4-coordinate geometry to one O(10), one O(6), and two equivalent O(5) atoms. The Cu(2)-O(10) bond length is 1.90 Å. The Cu(2)-O(6) bond length is 1.98 Å. There is one shorter (2.08 Å) and one longer (2.11 Å) Cu(2)-O(5) bond length. In the third Cu site, Cu(3) is bonded to one O(13), one O(8), and two equivalent O(15) atoms to form distorted CuO4 tetrahedra that share corners with two equivalent Cu(3)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, corners with two equivalent Li(4)O5 trigonal bipyramids, and corners with two equivalent Li(6)O5 trigonal bipyramids. The Cu(3)-O(13) bond length is 1.94 Å. The Cu(3)-O(8) bond length is 1.97 Å. There is one shorter (2.00 Å) and one longer (2.05 Å) Cu(3)-O(15) bond length. In the fourth Cu site, Cu(4) is bonded in a distorted rectangular see-saw-like geometry to one O(11), one O(12), and two equivalent O(16) atoms. The Cu(4)-O(11) bond length is 1.97 Å. The Cu(4)-O(12) bond length is 1.90 Å. There is one shorter (2.10 Å) and one longer (2.11 Å) Cu(4)-O(16) bond length. In the fifth Cu site, Cu(5) is bonded to one O(14), one O(21), and two equivalent O(17) atoms to form CuO4 tetrahedra that share corners with two equivalent Li(8)O5 square pyramids, corners with two equivalent Cu(5)O4 tetrahedra, corners with two equivalent Li(5)O5 trigonal bipyramids, and corners with two equivalent Li(6)O5 trigonal bipyramids. The Cu(5)-O(14) bond length is 1.97 Å. The Cu(5)-O(21) bond length is 1.98 Å. There is one shorter (2.01 Å) and one longer (2.04 Å) Cu(5)-O(17) bond length. In the sixth Cu site, Cu(6) is bonded to one O(22), one O(9), and two equivalent O(18) atoms to form CuO4 tetrahedra that share corners with two equivalent Cu(6)O4 tetrahedra, corners with two equivalent Li(3)O5 trigonal bipyramids, corners with two equivalent Li(6)O5 trigonal bipyramids, and corners with two equivalent Li(9)O5 trigonal bipyramids. The Cu(6)-O(22) bond length is 1.99 Å. The Cu(6)-O(9) bond length is 1.99 Å. There is one shorter (2.00 Å) and one longer (2.05 Å) Cu(6)-O(18) bond length. In the seventh Cu site, Cu(7) is bonded to one O(1), one O(24), and two equivalent O(20) atoms to form distorted CuO4 tetrahedra that share corners with two equivalent Li(8)O5 square pyramids, corners with two equivalent Cu(7)O4 tetrahedra, corners with two equivalent Li(1)O5 trigonal bipyramids, and corners with two equivalent Li(7)O5 trigonal bipyramids. The Cu(7)-O(1) bond length is 1.99 Å. The Cu(7)-O(24) bond length is 1.93 Å. There is one shorter (2.00 Å) and one longer (2.03 Å) Cu(7)-O(20) bond length. In the eighth Cu site, Cu(8) is bonded to one O(2), one O(23), and two equivalent O(26) atoms to form CuO4 tetrahedra that share corners with two equivalent Li(8)O5 square pyramids, corners with two equivalent Cu(8)O4 tetrahedra, corners with two equivalent Li(2)O5 trigonal bipyramids, and corners with two equivalent Li(9)O5 trigonal bipyramids. The Cu(8)-O(2) bond length is 1.96 Å. The Cu(8)-O(23) bond length is 1.96 Å. There is one shorter (2.00 Å) and one longer (2.09 Å) Cu(8)-O(26) bond length. In the ninth Cu site, Cu(9) is bonded to one O(19), one O(25), and two equivalent O(27) atoms to form distorted CuO4 tetrahedra that share corners with two equivalent Cu(9)O4 tetrahedra, corners with two equivalent Li(4)O5 trigonal bipyramids, corners with two equivalent Li(7)O5 trigonal bipyramids, and corners with two equivalent Li(9)O5 trigonal bipyramids. The Cu(9)-O(19) bond length is 2.00 Å. The Cu(9)-O(25) bond length is 1.93 Å. There is one shorter (1.99 Å) and one longer (2.03 Å) Cu(9)-O(27) bond length. There are nine inequivalent B sites. In the first B site, B(1) is bonded in a trigonal planar geometry to one O(2), one O(24), and one O(3) atom. The B(1)-O(2) bond length is 1.39 Å. The B(1)-O(24) bond length is 1.39 Å. The B(1)-O(3) bond length is 1.39 Å. In the second B site, B(2) is bonded in a trigonal planar geometry to one O(11), one O(6), and one O(7) atom. The B(2)-O(11) bond length is 1.38 Å. The B(2)-O(6) bond length is 1.38 Å. The B(2)-O(7) bond length is 1.38 Å. In the third B site, B(3) is bonded in a trigonal planar geometry to one O(10), one O(13), and one O(14) atom. The B(3)-O(10) bond length is 1.38 Å. The B(3)-O(13) bond length is 1.39 Å. The B(3)-O(14) bond length is 1.39 Å. In the fourth B site, B(4) is bonded in a trigonal planar geometry to one O(12), one O(25), and one O(9) atom. The B(4)-O(12) bond length is 1.39 Å. The B(4)-O(25) bond length is 1.39 Å. The B(4)-O(9) bond length is 1.39 Å. In the fifth B site, B(5) is bonded in a trigonal planar geometry to one O(15), one O(18), and one O(4) atom. The B(5)-O(15) bond length is 1.39 Å. The B(5)-O(18) bond length is 1.40 Å. The B(5)-O(4) bond length is 1.37 Å. In the sixth B site, B(6) is bonded in a trigonal planar geometry to one O(16), one O(17), and one O(20) atom. The B(6)-O(16) bond length is 1.38 Å. The B(6)-O(17) bond length is 1.40 Å. The B(6)-O(20) bond length is 1.40 Å. In the seventh B site, B(7) is bonded in a trigonal planar geometry to one O(21), one O(22), and one O(23) atom. The B(7)-O(21) bond length is 1.39 Å. The B(7)-O(22) bond length is 1.38 Å. The B(7)-O(23) bond length is 1.39 Å. In the eighth B site, B(8) is bonded in a trigonal planar geometry to one O(1), one O(19), and one O(8) atom. The B(8)-O(1) bond length is 1.39 Å. The B(8)-O(19) bond length is 1.38 Å. The B(8)-O(8) bond length is 1.39 Å. In the ninth B site, B(9) is bonded in a trigonal planar geometry to one O(26), one O(27), and one O(5) atom. The B(9)-O(26) bond length is 1.39 Å. The B(9)-O(27) bond length is 1.40 Å. The B(9)-O(5) bond length is 1.37 Å. There are twenty-seven inequivalent O sites. In the first O site, O(1) is bonded in a 4-coordinate geometry to two equivalent Li(1), one Cu(7), and one B(8) atom. In the second O site, O(2) is bonded to two equivalent Li(2), one Cu(8), and one B(1) atom to form distorted OLi2CuB tetrahedra that share corners with two equivalent O(2)Li2CuB tetrahedra, corners with two equivalent O(26)LiCu2B tetrahedra,  a cornercorner with one O(24)Li2CuB trigonal pyramid, and  a cornercorner with one O(3)Li2CuB trigonal pyramid. In the third O site, O(3) is bonded to two equivalent Li(1), one Cu(1), and one B(1) atom to form distorted OLi2CuB trigonal pyramids that share  a cornercorner with one O(2)Li2CuB tetrahedra, corners with two equivalent O(15)LiCu2B tetrahedra,  a cornercorner with one O(24)Li2CuB trigonal pyramid, and corners with two equivalent O(3)Li2CuB trigonal pyramids. In the fourth O site, O(4) is bonded in a distorted rectangular see-saw-like geometry to one Li(3), two equivalent Cu(1), and one B(5) atom. In the fifth O site, O(5) is bonded in a distorted rectangular see-saw-like geometry to one Li(2), two equivalent Cu(2), and one B(9) atom. In the sixth O site, O(6) is bonded in a 4-coordinate geometry to two equivalent Li(2), one Cu(2), and one B(2) atom. In the seventh O site, O(7) is bonded in a 4-coordinate geometry to two equivalent Li(3), one Cu(1), and one B(2) atom. In the eighth O site, O(8) is bonded in a 4-coordinate geometry to two equivalent Li(4), one Cu(3), and one B(8) atom. In the ninth O site, O(9) is bonded to two equivalent Li(3), one Cu(6), and one B(4) atom to form distorted OLi2CuB tetrahedra that share corners with two equivalent O(9)Li2CuB tetrahedra, corners with two equivalent O(18)LiCu2B tetrahedra,  a cornercorner with one O(12)Li2CuB trigonal pyramid, and  a cornercorner with one O(25)Li2CuB trigonal pyramid. In the tenth O site, O(10) is bonded to two equivalent Li(4), one Cu(2), and one B(3) atom to form distorted OLi2CuB trigonal pyramids that share  a cornercorner with one O(14)Li2CuB tetrahedra, corners with two equivalent O(27)LiCu2B tetrahedra,  a cornercorner with one O(13)Li2CuB trigonal pyramid, and corners with two equivalent O(10)Li2CuB trigonal pyramids. In the eleventh O site, O(11) is bonded in a 4-coordinate geometry to two equivalent Li(5), one Cu(4), and one B(2) atom. In the twelfth O site, O(12) is bonded to two equivalent Li(7), one Cu(4), and one B(4) atom to form distorted OLi2CuB trigonal pyramids that share  a cornercorner with one O(9)Li2CuB tetrahedra, corners with two equivalent O(20)LiCu2B tetrahedra,  a cornercorner with one O(25)Li2CuB trigonal pyramid, and corners with two equivalent O(12)Li2CuB trigonal pyramids. In the thirteenth O site, O(13) is bonded to two equivalent Li(6), one Cu(3), and one B(3) atom to form distorted OLi2CuB trigonal pyramids that share  a cornercorner with one O(14)Li2CuB tetrahedra, corners with two equivalent O(15)LiCu2B tetrahedra, corners with two equivalent O(18)LiCu2B tetrahedra,  a cornercorner with one O(10)Li2CuB trigonal pyramid, and corners with two equivalent O(13)Li2CuB trigonal pyramids. In the fourteenth O site, O(14) is bonded to two equivalent Li(5), one Cu(5), and one B(3) atom to form distorted OLi2CuB tetrahedra that share corners with two equivalent O(14)Li2CuB tetrahedra, corners with two equivalent O(17)LiCu2B tetrahedra,  a cornercorner with one O(10)Li2CuB trigonal pyramid, and  a cornercorner with one O(13)Li2CuB trigonal pyramid. In the fifteenth O site, O(15) is bonded to one Li(1), two equivalent Cu(3), and one B(5) atom to form distorted OLiCu2B tetrahedra that share  a cornercorner with one O(18)LiCu2B tetrahedra, corners with two equivalent O(15)LiCu2B tetrahedra, corners with two equivalent O(13)Li2CuB trigonal pyramids, and corners with two equivalent O(3)Li2CuB trigonal pyramids. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Li(5), two equivalent Cu(4), and one B(6) atom. In the seventeenth O site, O(17) is bonded to one Li(8), two equivalent Cu(5), and one B(6) atom to form distorted OLiCu2B tetrahedra that share  a cornercorner with one O(20)LiCu2B tetrahedra, corners with two equivalent O(14)Li2CuB tetrahedra, corners with two equivalent O(17)LiCu2B tetrahedra, and corners with two equivalent O(24)Li2CuB trigonal pyramids. In the eighteenth O site, O(18) is bonded to one Li(6), two equivalent Cu(6), and one B(5) atom to form distorted OLiCu2B tetrahedra that share  a cornercorner with one O(15)LiCu2B tetrahedra, corners with two equivalent O(9)Li2CuB tetrahedra, corners with two equivalent O(18)LiCu2B tetrahedra, and corners with two equivalent O(13)Li2CuB trigonal pyramids. In the nineteenth O site, O(19) is bonded in a 4-coordinate geometry to two equivalent Li(7), one Cu(9), and one B(8) atom. In the twentieth O site, O(20) is bonded to one Li(7), two equivalent Cu(7), and one B(6) atom to form distorted OLiCu2B tetrahedra that share  a cornercorner with one O(17)LiCu2B tetrahedra, corners with two equivalent O(20)LiCu2B tetrahedra, corners with two equivalent O(12)Li2CuB trigonal pyramids, and corners with two equivalent O(24)Li2CuB trigonal pyramids. In the twenty-first O site, O(21) is bonded in a 4-coordinate geometry to two equivalent Li(6), one Cu(5), and one B(7) atom. In the twenty-second O site, O(22) is bonded in a 4-coordinate geometry to two equivalent Li(9), one Cu(6), and one B(7) atom. In the twenty-third O site, O(23) is bonded in a 4-coordinate geometry to two equivalent Li(8), one Cu(8), and one B(7) atom. In the twenty-fourth O site, O(24) is bonded to two equivalent Li(8), one Cu(7), and one B(1) atom to form distorted OLi2CuB trigonal pyramids that share  a cornercorner with one O(2)Li2CuB tetrahedra, corners with two equivalent O(17)LiCu2B tetrahedra, corners with two equivalent O(20)LiCu2B tetrahedra,  a cornercorner with one O(3)Li2CuB trigonal pyramid, and corners with two equivalent O(24)Li2CuB trigonal pyramids. In the twenty-fifth O site, O(25) is bonded to two equivalent Li(9), one Cu(9), and one B(4) atom to form distorted OLi2CuB trigonal pyramids that share  a cornercorner with one O(9)Li2CuB tetrahedra, corners with two equivalent O(26)LiCu2B tetrahedra, corners with two equivalent O(27)LiCu2B tetrahedra,  a cornercorner with one O(12)Li2CuB trigonal pyramid, and corners with two equivalent O(25)Li2CuB trigonal pyramids. In the twenty-sixth O site, O(26) is bonded to one Li(9), two equivalent Cu(8), and one B(9) atom to form distorted OLiCu2B tetrahedra that share  a cornercorner with one O(27)LiCu2B tetrahedra, corners with two equivalent O(2)Li2CuB tetrahedra, corners with two equivalent O(26)LiCu2B tetrahedra, and corners with two equivalent O(25)Li2CuB trigonal pyramids. In the twenty-seventh O site, O(27) is bonded to one Li(4), two equivalent Cu(9), and one B(9) atom to form distorted OLiCu2B tetrahedra that share  a cornercorner with one O(26)LiCu2B tetrahedra, corners with two equivalent O(27)LiCu2B tetrahedra, corners with two equivalent O(10)Li2CuB trigonal pyramids, and corners with two equivalent O(25)Li2CuB trigonal pyramids.