LiBa4Y2Cu5O14 crystallizes in the monoclinic Cm space group. Li(1) is bonded to one O(4), one O(7), one O(9), and two equivalent O(2) atoms to form distorted LiO5 trigonal bipyramids that share corners with four equivalent Cu(5)O5 square pyramids. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(4), one O(9), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(11), one O(8), two equivalent O(1), two equivalent O(10), two equivalent O(5), and two equivalent O(6) atoms. Y(1) is bonded in a body-centered cubic geometry to one O(11), one O(4), one O(8), one O(9), two equivalent O(2), and two equivalent O(5) atoms. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one O(6), one O(7), and two equivalent O(1) atoms. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(10), one O(3), and two equivalent O(1) atoms. In the third Cu site, Cu(3) is bonded to one O(11), one O(6), one O(8), and two equivalent O(5) atoms to form distorted corner-sharing CuO5 square pyramids. In the fourth Cu site, Cu(4) is bonded to one O(10), one O(11), one O(8), and two equivalent O(5) atoms to form corner-sharing CuO5 square pyramids. In the fifth Cu site, Cu(5) is bonded to one O(3), one O(4), one O(9), and two equivalent O(2) atoms to form distorted CuO5 square pyramids that share corners with four equivalent Li(1)O5 trigonal bipyramids. There are eleven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Cu(1), and one Cu(2) atom to form distorted OBa4Cu2 octahedra that share corners with two equivalent O(1)Ba4Cu2 octahedra, corners with two equivalent O(10)Ba4Cu2 octahedra, corners with two equivalent O(3)Ba4Cu2 octahedra, corners with two equivalent O(6)Ba4Cu2 octahedra, corners with two equivalent O(7)Ba4LiCu octahedra, edges with two equivalent O(1)Ba4Cu2 octahedra,  a faceface with one O(10)Ba4Cu2 octahedra,  a faceface with one O(3)Ba4Cu2 octahedra,  a faceface with one O(6)Ba4Cu2 octahedra, and  a faceface with one O(7)Ba4LiCu octahedra. The corner-sharing octahedral tilt angles range from 6-70°. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Ba(1), two equivalent Y(1), and one Cu(5) atom. In the third O site, O(3) is bonded to four equivalent Ba(1), one Cu(2), and one Cu(5) atom to form distorted OBa4Cu2 octahedra that share  a cornercorner with one O(10)Ba4Cu2 octahedra, corners with four equivalent O(1)Ba4Cu2 octahedra, corners with four equivalent O(3)Ba4Cu2 octahedra, edges with four equivalent O(7)Ba4LiCu octahedra, and faces with two equivalent O(1)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-70°. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Ba(1), two equivalent Y(1), and one Cu(5) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), one Cu(3), and one Cu(4) atom. In the sixth O site, O(6) is bonded to four equivalent Ba(2), one Cu(1), and one Cu(3) atom to form distorted OBa4Cu2 octahedra that share  a cornercorner with one O(7)Ba4LiCu octahedra, corners with four equivalent O(1)Ba4Cu2 octahedra, corners with four equivalent O(6)Ba4Cu2 octahedra, edges with four equivalent O(10)Ba4Cu2 octahedra, and faces with two equivalent O(1)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-69°. In the seventh O site, O(7) is bonded to one Li(1), four equivalent Ba(1), and one Cu(1) atom to form distorted OBa4LiCu octahedra that share  a cornercorner with one O(6)Ba4Cu2 octahedra, corners with four equivalent O(1)Ba4Cu2 octahedra, corners with four equivalent O(7)Ba4LiCu octahedra, edges with four equivalent O(3)Ba4Cu2 octahedra, and faces with two equivalent O(1)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-69°. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), one Cu(3), and one Cu(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Ba(1), two equivalent Y(1), and one Cu(5) atom. In the tenth O site, O(10) is bonded to four equivalent Ba(2), one Cu(2), and one Cu(4) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-69°. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), one Cu(3), and one Cu(4) atom.
LiBa4Y2Cu5O14 crystallizes in the monoclinic Cm space group. Li(1) is bonded to one O(4), one O(7), one O(9), and two equivalent O(2) atoms to form distorted LiO5 trigonal bipyramids that share corners with four equivalent Cu(5)O5 square pyramids. The Li(1)-O(4) bond length is 2.06 Å. The Li(1)-O(7) bond length is 2.09 Å. The Li(1)-O(9) bond length is 2.06 Å. Both Li(1)-O(2) bond lengths are 2.11 Å. There are two inequivalent Ba sites. In the first Ba site, Ba(1) is bonded in a 10-coordinate geometry to one O(4), one O(9), two equivalent O(1), two equivalent O(2), two equivalent O(3), and two equivalent O(7) atoms. The Ba(1)-O(4) bond length is 3.03 Å. The Ba(1)-O(9) bond length is 3.03 Å. There is one shorter (2.88 Å) and one longer (3.00 Å) Ba(1)-O(1) bond length. There is one shorter (3.00 Å) and one longer (3.01 Å) Ba(1)-O(2) bond length. There is one shorter (2.77 Å) and one longer (2.78 Å) Ba(1)-O(3) bond length. There is one shorter (2.75 Å) and one longer (2.79 Å) Ba(1)-O(7) bond length. In the second Ba site, Ba(2) is bonded in a 10-coordinate geometry to one O(11), one O(8), two equivalent O(1), two equivalent O(10), two equivalent O(5), and two equivalent O(6) atoms. The Ba(2)-O(11) bond length is 3.04 Å. The Ba(2)-O(8) bond length is 3.04 Å. There is one shorter (2.84 Å) and one longer (2.98 Å) Ba(2)-O(1) bond length. There is one shorter (2.75 Å) and one longer (2.78 Å) Ba(2)-O(10) bond length. There is one shorter (3.02 Å) and one longer (3.05 Å) Ba(2)-O(5) bond length. There is one shorter (2.75 Å) and one longer (2.79 Å) Ba(2)-O(6) bond length. Y(1) is bonded in a body-centered cubic geometry to one O(11), one O(4), one O(8), one O(9), two equivalent O(2), and two equivalent O(5) atoms. The Y(1)-O(11) bond length is 2.46 Å. The Y(1)-O(4) bond length is 2.39 Å. The Y(1)-O(8) bond length is 2.47 Å. The Y(1)-O(9) bond length is 2.40 Å. Both Y(1)-O(2) bond lengths are 2.38 Å. There is one shorter (2.42 Å) and one longer (2.43 Å) Y(1)-O(5) bond length. There are five inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a rectangular see-saw-like geometry to one O(6), one O(7), and two equivalent O(1) atoms. The Cu(1)-O(6) bond length is 1.88 Å. The Cu(1)-O(7) bond length is 1.89 Å. Both Cu(1)-O(1) bond lengths are 1.96 Å. In the second Cu site, Cu(2) is bonded in a rectangular see-saw-like geometry to one O(10), one O(3), and two equivalent O(1) atoms. The Cu(2)-O(10) bond length is 1.87 Å. The Cu(2)-O(3) bond length is 1.85 Å. Both Cu(2)-O(1) bond lengths are 1.97 Å. In the third Cu site, Cu(3) is bonded to one O(11), one O(6), one O(8), and two equivalent O(5) atoms to form distorted corner-sharing CuO5 square pyramids. The Cu(3)-O(11) bond length is 1.95 Å. The Cu(3)-O(6) bond length is 2.36 Å. The Cu(3)-O(8) bond length is 1.95 Å. Both Cu(3)-O(5) bond lengths are 1.99 Å. In the fourth Cu site, Cu(4) is bonded to one O(10), one O(11), one O(8), and two equivalent O(5) atoms to form corner-sharing CuO5 square pyramids. The Cu(4)-O(10) bond length is 2.34 Å. The Cu(4)-O(11) bond length is 1.95 Å. The Cu(4)-O(8) bond length is 1.94 Å. Both Cu(4)-O(5) bond lengths are 1.98 Å. In the fifth Cu site, Cu(5) is bonded to one O(3), one O(4), one O(9), and two equivalent O(2) atoms to form distorted CuO5 square pyramids that share corners with four equivalent Li(1)O5 trigonal bipyramids. The Cu(5)-O(3) bond length is 2.58 Å. The Cu(5)-O(4) bond length is 1.87 Å. The Cu(5)-O(9) bond length is 1.88 Å. Both Cu(5)-O(2) bond lengths are 1.88 Å. There are eleven inequivalent O sites. In the first O site, O(1) is bonded to two equivalent Ba(1), two equivalent Ba(2), one Cu(1), and one Cu(2) atom to form distorted OBa4Cu2 octahedra that share corners with two equivalent O(1)Ba4Cu2 octahedra, corners with two equivalent O(10)Ba4Cu2 octahedra, corners with two equivalent O(3)Ba4Cu2 octahedra, corners with two equivalent O(6)Ba4Cu2 octahedra, corners with two equivalent O(7)Ba4LiCu octahedra, edges with two equivalent O(1)Ba4Cu2 octahedra,  a faceface with one O(10)Ba4Cu2 octahedra,  a faceface with one O(3)Ba4Cu2 octahedra,  a faceface with one O(6)Ba4Cu2 octahedra, and  a faceface with one O(7)Ba4LiCu octahedra. The corner-sharing octahedral tilt angles range from 6-70°. In the second O site, O(2) is bonded in a 6-coordinate geometry to one Li(1), two equivalent Ba(1), two equivalent Y(1), and one Cu(5) atom. In the third O site, O(3) is bonded to four equivalent Ba(1), one Cu(2), and one Cu(5) atom to form distorted OBa4Cu2 octahedra that share  a cornercorner with one O(10)Ba4Cu2 octahedra, corners with four equivalent O(1)Ba4Cu2 octahedra, corners with four equivalent O(3)Ba4Cu2 octahedra, edges with four equivalent O(7)Ba4LiCu octahedra, and faces with two equivalent O(1)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-70°. In the fourth O site, O(4) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Ba(1), two equivalent Y(1), and one Cu(5) atom. In the fifth O site, O(5) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), one Cu(3), and one Cu(4) atom. In the sixth O site, O(6) is bonded to four equivalent Ba(2), one Cu(1), and one Cu(3) atom to form distorted OBa4Cu2 octahedra that share  a cornercorner with one O(7)Ba4LiCu octahedra, corners with four equivalent O(1)Ba4Cu2 octahedra, corners with four equivalent O(6)Ba4Cu2 octahedra, edges with four equivalent O(10)Ba4Cu2 octahedra, and faces with two equivalent O(1)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-69°. In the seventh O site, O(7) is bonded to one Li(1), four equivalent Ba(1), and one Cu(1) atom to form distorted OBa4LiCu octahedra that share  a cornercorner with one O(6)Ba4Cu2 octahedra, corners with four equivalent O(1)Ba4Cu2 octahedra, corners with four equivalent O(7)Ba4LiCu octahedra, edges with four equivalent O(3)Ba4Cu2 octahedra, and faces with two equivalent O(1)Ba4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-69°. In the eighth O site, O(8) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), one Cu(3), and one Cu(4) atom. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Li(1), two equivalent Ba(1), two equivalent Y(1), and one Cu(5) atom. In the tenth O site, O(10) is bonded to four equivalent Ba(2), one Cu(2), and one Cu(4) atom to form a mixture of distorted edge, face, and corner-sharing OBa4Cu2 octahedra. The corner-sharing octahedral tilt angles range from 1-69°. In the eleventh O site, O(11) is bonded in a 6-coordinate geometry to two equivalent Ba(2), two equivalent Y(1), one Cu(3), and one Cu(4) atom.