Li3Cu3(PO4)2 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(13), one O(4), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(5)O4 tetrahedra,  a cornercorner with one Cu(6)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Cu(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Li site, Li(2) is bonded to one O(14), one O(2), one O(3), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(5)O4 tetrahedra,  a cornercorner with one Cu(6)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Cu(4)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the third Li site, Li(3) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Cu(5)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(12), one O(3), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Cu(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a cornercorner with one Cu(2)O4 trigonal pyramid. In the fifth Li site, Li(5) is bonded to one O(1), one O(10), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Cu(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  a cornercorner with one Cu(2)O4 trigonal pyramid. In the sixth Li site, Li(6) is bonded to one O(10), one O(11), one O(15), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra,  a cornercorner with one Cu(4)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Cu(5)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(4), one O(6), one O(7), and one O(9) atom to form CuO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Cu(6)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent Cu(2)O4 trigonal pyramids. In the second Cu site, Cu(2) is bonded to one O(12), one O(16), one O(6), and one O(9) atom to form distorted CuO4 trigonal pyramids that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra,  a cornercorner with one Cu(4)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Cu(1)O4 tetrahedra, corners with two equivalent Cu(6)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the third Cu site, Cu(3) is bonded to one O(1), one O(10), one O(13), and one O(16) atom to form CuO4 tetrahedra that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Cu(5)O4 tetrahedra,  a cornercorner with one Cu(6)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  a cornercorner with one Cu(2)O4 trigonal pyramid. In the fourth Cu site, Cu(4) is bonded to one O(12), one O(14), one O(15), and one O(3) atom to form CuO4 tetrahedra that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Cu(5)O4 tetrahedra,  a cornercorner with one Cu(6)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a cornercorner with one Cu(2)O4 trigonal pyramid. In the fifth Cu site, Cu(5) is bonded to one O(11), one O(13), one O(15), and one O(2) atom to form CuO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra,  a cornercorner with one Cu(4)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the sixth Cu site, Cu(6) is bonded to one O(14), one O(16), one O(4), and one O(9) atom to form CuO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra,  a cornercorner with one Cu(4)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Cu(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent Cu(2)O4 trigonal pyramids. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(16), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra,  a cornercorner with one Cu(4)O4 tetrahedra, corners with two equivalent Cu(1)O4 tetrahedra, corners with two equivalent Cu(6)O4 tetrahedra, and corners with two equivalent Cu(2)O4 trigonal pyramids. In the second P site, P(2) is bonded to one O(1), one O(15), one O(2), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra,  a cornercorner with one Cu(4)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, and corners with two equivalent Cu(5)O4 tetrahedra. In the third P site, P(3) is bonded to one O(11), one O(12), one O(14), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(5)O4 tetrahedra,  a cornercorner with one Cu(6)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Cu(4)O4 tetrahedra, and  a cornercorner with one Cu(2)O4 trigonal pyramid. In the fourth P site, P(4) is bonded to one O(10), one O(13), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(5)O4 tetrahedra,  a cornercorner with one Cu(6)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Cu(3)O4 tetrahedra, and  a cornercorner with one Cu(2)O4 trigonal pyramid. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(5), one Cu(3), and one P(2) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(5)Li3P tetrahedra,  a cornercorner with one O(15)LiCu2P tetrahedra,  a cornercorner with one O(4)LiCu2P tetrahedra,  a cornercorner with one O(6)LiCu2P tetrahedra, corners with two equivalent O(8)Li3P tetrahedra, corners with two equivalent O(13)LiCu2P tetrahedra,  a cornercorner with one O(2)Li2CuP trigonal pyramid, and corners with two equivalent O(10)Li2CuP trigonal pyramids. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Cu(5), and one P(2) atom to form distorted OLi2CuP trigonal pyramids that share  a cornercorner with one O(1)Li2CuP tetrahedra,  a cornercorner with one O(3)Li2CuP tetrahedra,  a cornercorner with one O(7)Li2CuP tetrahedra,  a cornercorner with one O(8)Li3P tetrahedra,  a cornercorner with one O(13)LiCu2P tetrahedra,  a cornercorner with one O(14)LiCu2P tetrahedra, corners with two equivalent O(11)Li2CuP tetrahedra, corners with two equivalent O(5)Li3P tetrahedra, and corners with two equivalent O(15)LiCu2P tetrahedra. In the third O site, O(3) is bonded to one Li(2), one Li(4), one Cu(4), and one P(1) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(5)Li3P tetrahedra,  a cornercorner with one O(15)LiCu2P tetrahedra,  a cornercorner with one O(4)LiCu2P tetrahedra,  a cornercorner with one O(6)LiCu2P tetrahedra, corners with two equivalent O(7)Li2CuP tetrahedra, corners with two equivalent O(14)LiCu2P tetrahedra, and  a cornercorner with one O(2)Li2CuP trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(1), one Cu(1), one Cu(6), and one P(1) atom to form distorted OLiCu2P tetrahedra that share  a cornercorner with one O(1)Li2CuP tetrahedra,  a cornercorner with one O(3)Li2CuP tetrahedra,  a cornercorner with one O(7)Li2CuP tetrahedra,  a cornercorner with one O(8)Li3P tetrahedra,  a cornercorner with one O(13)LiCu2P tetrahedra,  a cornercorner with one O(14)LiCu2P tetrahedra, and corners with two equivalent O(6)LiCu2P tetrahedra. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one Li(6), and one P(2) atom to form OLi3P tetrahedra that share  a cornercorner with one O(1)Li2CuP tetrahedra,  a cornercorner with one O(3)Li2CuP tetrahedra,  a cornercorner with one O(7)Li2CuP tetrahedra,  a cornercorner with one O(8)Li3P tetrahedra, corners with two equivalent O(11)Li2CuP tetrahedra, corners with two equivalent O(15)LiCu2P tetrahedra,  a cornercorner with one O(10)Li2CuP trigonal pyramid, and corners with two equivalent O(2)Li2CuP trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(5), one Cu(1), one Cu(2), and one P(1) atom to form distorted OLiCu2P tetrahedra that share  a cornercorner with one O(1)Li2CuP tetrahedra,  a cornercorner with one O(3)Li2CuP tetrahedra,  a cornercorner with one O(7)Li2CuP tetrahedra,  a cornercorner with one O(8)Li3P tetrahedra, corners with two equivalent O(4)LiCu2P tetrahedra, and  a cornercorner with one O(10)Li2CuP trigonal pyramid. In the seventh O site, O(7) is bonded to one Li(2), one Li(4), one Cu(1), and one P(3) atom to form OLi2CuP tetrahedra that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(5)Li3P tetrahedra,  a cornercorner with one O(4)LiCu2P tetrahedra,  a cornercorner with one O(6)LiCu2P tetrahedra, corners with two equivalent O(3)Li2CuP tetrahedra, corners with two equivalent O(14)LiCu2P tetrahedra, and  a cornercorner with one O(2)Li2CuP trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(5), and one P(4) atom to form OLi3P tetrahedra that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(5)Li3P tetrahedra,  a cornercorner with one O(4)LiCu2P tetrahedra,  a cornercorner with one O(6)LiCu2P tetrahedra, corners with two equivalent O(1)Li2CuP tetrahedra, corners with two equivalent O(13)LiCu2P tetrahedra,  a cornercorner with one O(2)Li2CuP trigonal pyramid, and corners with two equivalent O(10)Li2CuP trigonal pyramids. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Cu(1), one Cu(2), one Cu(6), and one P(4) atom. In the tenth O site, O(10) is bonded to one Li(5), one Li(6), one Cu(3), and one P(4) atom to form distorted OLi2CuP trigonal pyramids that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(5)Li3P tetrahedra,  a cornercorner with one O(15)LiCu2P tetrahedra,  a cornercorner with one O(6)LiCu2P tetrahedra, corners with two equivalent O(1)Li2CuP tetrahedra, corners with two equivalent O(8)Li3P tetrahedra, and corners with two equivalent O(13)LiCu2P tetrahedra. In the eleventh O site, O(11) is bonded to one Li(3), one Li(6), one Cu(5), and one P(3) atom to form OLi2CuP tetrahedra that share  a cornercorner with one O(7)Li2CuP tetrahedra,  a cornercorner with one O(8)Li3P tetrahedra,  a cornercorner with one O(13)LiCu2P tetrahedra,  a cornercorner with one O(14)LiCu2P tetrahedra, corners with two equivalent O(5)Li3P tetrahedra, corners with two equivalent O(15)LiCu2P tetrahedra,  a cornercorner with one O(10)Li2CuP trigonal pyramid, and corners with two equivalent O(2)Li2CuP trigonal pyramids. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Cu(2), one Cu(4), and one P(3) atom. In the thirteenth O site, O(13) is bonded to one Li(1), one Cu(3), one Cu(5), and one P(4) atom to form distorted OLiCu2P tetrahedra that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(15)LiCu2P tetrahedra,  a cornercorner with one O(4)LiCu2P tetrahedra, corners with two equivalent O(1)Li2CuP tetrahedra, corners with two equivalent O(8)Li3P tetrahedra,  a cornercorner with one O(2)Li2CuP trigonal pyramid, and corners with two equivalent O(10)Li2CuP trigonal pyramids. In the fourteenth O site, O(14) is bonded to one Li(2), one Cu(4), one Cu(6), and one P(3) atom to form distorted OLiCu2P tetrahedra that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(15)LiCu2P tetrahedra,  a cornercorner with one O(4)LiCu2P tetrahedra, corners with two equivalent O(3)Li2CuP tetrahedra, corners with two equivalent O(7)Li2CuP tetrahedra, and  a cornercorner with one O(2)Li2CuP trigonal pyramid. In the fifteenth O site, O(15) is bonded to one Li(6), one Cu(4), one Cu(5), and one P(2) atom to form distorted OLiCu2P tetrahedra that share  a cornercorner with one O(1)Li2CuP tetrahedra,  a cornercorner with one O(3)Li2CuP tetrahedra,  a cornercorner with one O(13)LiCu2P tetrahedra,  a cornercorner with one O(14)LiCu2P tetrahedra, corners with two equivalent O(11)Li2CuP tetrahedra, corners with two equivalent O(5)Li3P tetrahedra,  a cornercorner with one O(10)Li2CuP trigonal pyramid, and corners with two equivalent O(2)Li2CuP trigonal pyramids. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Cu(2), one Cu(3), one Cu(6), and one P(1) atom.
Li3Cu3(PO4)2 crystallizes in the triclinic P1 space group. There are six inequivalent Li sites. In the first Li site, Li(1) is bonded to one O(1), one O(13), one O(4), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(5)O4 tetrahedra,  a cornercorner with one Cu(6)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Cu(3)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The Li(1)-O(1) bond length is 2.00 Å. The Li(1)-O(13) bond length is 2.00 Å. The Li(1)-O(4) bond length is 2.02 Å. The Li(1)-O(8) bond length is 2.11 Å. In the second Li site, Li(2) is bonded to one O(14), one O(2), one O(3), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(5)O4 tetrahedra,  a cornercorner with one Cu(6)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Cu(4)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The Li(2)-O(14) bond length is 2.00 Å. The Li(2)-O(2) bond length is 2.02 Å. The Li(2)-O(3) bond length is 2.00 Å. The Li(2)-O(7) bond length is 2.05 Å. In the third Li site, Li(3) is bonded to one O(11), one O(2), one O(5), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, corners with two equivalent Cu(5)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The Li(3)-O(11) bond length is 1.96 Å. The Li(3)-O(2) bond length is 2.01 Å. The Li(3)-O(5) bond length is 2.01 Å. The Li(3)-O(8) bond length is 2.00 Å. In the fourth Li site, Li(4) is bonded to one O(12), one O(3), one O(5), and one O(7) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Cu(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a cornercorner with one Cu(2)O4 trigonal pyramid. The Li(4)-O(12) bond length is 1.97 Å. The Li(4)-O(3) bond length is 2.00 Å. The Li(4)-O(5) bond length is 2.02 Å. The Li(4)-O(7) bond length is 2.00 Å. In the fifth Li site, Li(5) is bonded to one O(1), one O(10), one O(6), and one O(8) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Cu(3)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  a cornercorner with one Cu(2)O4 trigonal pyramid. The Li(5)-O(1) bond length is 1.98 Å. The Li(5)-O(10) bond length is 2.03 Å. The Li(5)-O(6) bond length is 2.02 Å. The Li(5)-O(8) bond length is 2.01 Å. In the sixth Li site, Li(6) is bonded to one O(10), one O(11), one O(15), and one O(5) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra,  a cornercorner with one Cu(4)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Cu(5)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The Li(6)-O(10) bond length is 1.98 Å. The Li(6)-O(11) bond length is 2.00 Å. The Li(6)-O(15) bond length is 2.01 Å. The Li(6)-O(5) bond length is 2.08 Å. There are six inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(4), one O(6), one O(7), and one O(9) atom to form CuO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Cu(6)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent Cu(2)O4 trigonal pyramids. The Cu(1)-O(4) bond length is 2.24 Å. The Cu(1)-O(6) bond length is 2.09 Å. The Cu(1)-O(7) bond length is 2.04 Å. The Cu(1)-O(9) bond length is 2.06 Å. In the second Cu site, Cu(2) is bonded to one O(12), one O(16), one O(6), and one O(9) atom to form distorted CuO4 trigonal pyramids that share  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra,  a cornercorner with one Cu(4)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Cu(1)O4 tetrahedra, corners with two equivalent Cu(6)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The Cu(2)-O(12) bond length is 2.21 Å. The Cu(2)-O(16) bond length is 2.00 Å. The Cu(2)-O(6) bond length is 2.01 Å. The Cu(2)-O(9) bond length is 2.35 Å. In the third Cu site, Cu(3) is bonded to one O(1), one O(10), one O(13), and one O(16) atom to form CuO4 tetrahedra that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Cu(5)O4 tetrahedra,  a cornercorner with one Cu(6)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent P(4)O4 tetrahedra, and  a cornercorner with one Cu(2)O4 trigonal pyramid. The Cu(3)-O(1) bond length is 2.19 Å. The Cu(3)-O(10) bond length is 2.05 Å. The Cu(3)-O(13) bond length is 2.02 Å. The Cu(3)-O(16) bond length is 2.15 Å. In the fourth Cu site, Cu(4) is bonded to one O(12), one O(14), one O(15), and one O(3) atom to form CuO4 tetrahedra that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Cu(5)O4 tetrahedra,  a cornercorner with one Cu(6)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent P(3)O4 tetrahedra, and  a cornercorner with one Cu(2)O4 trigonal pyramid. The Cu(4)-O(12) bond length is 2.10 Å. The Cu(4)-O(14) bond length is 2.03 Å. The Cu(4)-O(15) bond length is 2.18 Å. The Cu(4)-O(3) bond length is 2.15 Å. In the fifth Cu site, Cu(5) is bonded to one O(11), one O(13), one O(15), and one O(2) atom to form CuO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra,  a cornercorner with one Cu(4)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The Cu(5)-O(11) bond length is 2.13 Å. The Cu(5)-O(13) bond length is 2.13 Å. The Cu(5)-O(15) bond length is 2.03 Å. The Cu(5)-O(2) bond length is 2.10 Å. In the sixth Cu site, Cu(6) is bonded to one O(14), one O(16), one O(4), and one O(9) atom to form CuO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra,  a cornercorner with one Cu(4)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Cu(1)O4 tetrahedra, corners with two equivalent P(1)O4 tetrahedra, and corners with two equivalent Cu(2)O4 trigonal pyramids. The Cu(6)-O(14) bond length is 2.08 Å. The Cu(6)-O(16) bond length is 2.08 Å. The Cu(6)-O(4) bond length is 2.21 Å. The Cu(6)-O(9) bond length is 2.11 Å. There are four inequivalent P sites. In the first P site, P(1) is bonded to one O(16), one O(3), one O(4), and one O(6) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra,  a cornercorner with one Cu(4)O4 tetrahedra, corners with two equivalent Cu(1)O4 tetrahedra, corners with two equivalent Cu(6)O4 tetrahedra, and corners with two equivalent Cu(2)O4 trigonal pyramids. The P(1)-O(16) bond length is 1.57 Å. The P(1)-O(3) bond length is 1.56 Å. The P(1)-O(4) bond length is 1.55 Å. The P(1)-O(6) bond length is 1.57 Å. In the second P site, P(2) is bonded to one O(1), one O(15), one O(2), and one O(5) atom to form PO4 tetrahedra that share  a cornercorner with one Li(1)O4 tetrahedra,  a cornercorner with one Li(2)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra,  a cornercorner with one Cu(4)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, and corners with two equivalent Cu(5)O4 tetrahedra. The P(2)-O(1) bond length is 1.56 Å. The P(2)-O(15) bond length is 1.58 Å. The P(2)-O(2) bond length is 1.56 Å. The P(2)-O(5) bond length is 1.56 Å. In the third P site, P(3) is bonded to one O(11), one O(12), one O(14), and one O(7) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(5)O4 tetrahedra,  a cornercorner with one Cu(6)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Cu(4)O4 tetrahedra, and  a cornercorner with one Cu(2)O4 trigonal pyramid. The P(3)-O(11) bond length is 1.55 Å. The P(3)-O(12) bond length is 1.56 Å. The P(3)-O(14) bond length is 1.57 Å. The P(3)-O(7) bond length is 1.56 Å. In the fourth P site, P(4) is bonded to one O(10), one O(13), one O(8), and one O(9) atom to form PO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(5)O4 tetrahedra,  a cornercorner with one Cu(6)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, corners with two equivalent Cu(3)O4 tetrahedra, and  a cornercorner with one Cu(2)O4 trigonal pyramid. The P(4)-O(10) bond length is 1.56 Å. The P(4)-O(13) bond length is 1.57 Å. The P(4)-O(8) bond length is 1.56 Å. The P(4)-O(9) bond length is 1.56 Å. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Li(5), one Cu(3), and one P(2) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(5)Li3P tetrahedra,  a cornercorner with one O(15)LiCu2P tetrahedra,  a cornercorner with one O(4)LiCu2P tetrahedra,  a cornercorner with one O(6)LiCu2P tetrahedra, corners with two equivalent O(8)Li3P tetrahedra, corners with two equivalent O(13)LiCu2P tetrahedra,  a cornercorner with one O(2)Li2CuP trigonal pyramid, and corners with two equivalent O(10)Li2CuP trigonal pyramids. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Cu(5), and one P(2) atom to form distorted OLi2CuP trigonal pyramids that share  a cornercorner with one O(1)Li2CuP tetrahedra,  a cornercorner with one O(3)Li2CuP tetrahedra,  a cornercorner with one O(7)Li2CuP tetrahedra,  a cornercorner with one O(8)Li3P tetrahedra,  a cornercorner with one O(13)LiCu2P tetrahedra,  a cornercorner with one O(14)LiCu2P tetrahedra, corners with two equivalent O(11)Li2CuP tetrahedra, corners with two equivalent O(5)Li3P tetrahedra, and corners with two equivalent O(15)LiCu2P tetrahedra. In the third O site, O(3) is bonded to one Li(2), one Li(4), one Cu(4), and one P(1) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(5)Li3P tetrahedra,  a cornercorner with one O(15)LiCu2P tetrahedra,  a cornercorner with one O(4)LiCu2P tetrahedra,  a cornercorner with one O(6)LiCu2P tetrahedra, corners with two equivalent O(7)Li2CuP tetrahedra, corners with two equivalent O(14)LiCu2P tetrahedra, and  a cornercorner with one O(2)Li2CuP trigonal pyramid. In the fourth O site, O(4) is bonded to one Li(1), one Cu(1), one Cu(6), and one P(1) atom to form distorted OLiCu2P tetrahedra that share  a cornercorner with one O(1)Li2CuP tetrahedra,  a cornercorner with one O(3)Li2CuP tetrahedra,  a cornercorner with one O(7)Li2CuP tetrahedra,  a cornercorner with one O(8)Li3P tetrahedra,  a cornercorner with one O(13)LiCu2P tetrahedra,  a cornercorner with one O(14)LiCu2P tetrahedra, and corners with two equivalent O(6)LiCu2P tetrahedra. In the fifth O site, O(5) is bonded to one Li(3), one Li(4), one Li(6), and one P(2) atom to form OLi3P tetrahedra that share  a cornercorner with one O(1)Li2CuP tetrahedra,  a cornercorner with one O(3)Li2CuP tetrahedra,  a cornercorner with one O(7)Li2CuP tetrahedra,  a cornercorner with one O(8)Li3P tetrahedra, corners with two equivalent O(11)Li2CuP tetrahedra, corners with two equivalent O(15)LiCu2P tetrahedra,  a cornercorner with one O(10)Li2CuP trigonal pyramid, and corners with two equivalent O(2)Li2CuP trigonal pyramids. In the sixth O site, O(6) is bonded to one Li(5), one Cu(1), one Cu(2), and one P(1) atom to form distorted OLiCu2P tetrahedra that share  a cornercorner with one O(1)Li2CuP tetrahedra,  a cornercorner with one O(3)Li2CuP tetrahedra,  a cornercorner with one O(7)Li2CuP tetrahedra,  a cornercorner with one O(8)Li3P tetrahedra, corners with two equivalent O(4)LiCu2P tetrahedra, and  a cornercorner with one O(10)Li2CuP trigonal pyramid. In the seventh O site, O(7) is bonded to one Li(2), one Li(4), one Cu(1), and one P(3) atom to form OLi2CuP tetrahedra that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(5)Li3P tetrahedra,  a cornercorner with one O(4)LiCu2P tetrahedra,  a cornercorner with one O(6)LiCu2P tetrahedra, corners with two equivalent O(3)Li2CuP tetrahedra, corners with two equivalent O(14)LiCu2P tetrahedra, and  a cornercorner with one O(2)Li2CuP trigonal pyramid. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Li(5), and one P(4) atom to form OLi3P tetrahedra that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(5)Li3P tetrahedra,  a cornercorner with one O(4)LiCu2P tetrahedra,  a cornercorner with one O(6)LiCu2P tetrahedra, corners with two equivalent O(1)Li2CuP tetrahedra, corners with two equivalent O(13)LiCu2P tetrahedra,  a cornercorner with one O(2)Li2CuP trigonal pyramid, and corners with two equivalent O(10)Li2CuP trigonal pyramids. In the ninth O site, O(9) is bonded in a 4-coordinate geometry to one Cu(1), one Cu(2), one Cu(6), and one P(4) atom. In the tenth O site, O(10) is bonded to one Li(5), one Li(6), one Cu(3), and one P(4) atom to form distorted OLi2CuP trigonal pyramids that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(5)Li3P tetrahedra,  a cornercorner with one O(15)LiCu2P tetrahedra,  a cornercorner with one O(6)LiCu2P tetrahedra, corners with two equivalent O(1)Li2CuP tetrahedra, corners with two equivalent O(8)Li3P tetrahedra, and corners with two equivalent O(13)LiCu2P tetrahedra. In the eleventh O site, O(11) is bonded to one Li(3), one Li(6), one Cu(5), and one P(3) atom to form OLi2CuP tetrahedra that share  a cornercorner with one O(7)Li2CuP tetrahedra,  a cornercorner with one O(8)Li3P tetrahedra,  a cornercorner with one O(13)LiCu2P tetrahedra,  a cornercorner with one O(14)LiCu2P tetrahedra, corners with two equivalent O(5)Li3P tetrahedra, corners with two equivalent O(15)LiCu2P tetrahedra,  a cornercorner with one O(10)Li2CuP trigonal pyramid, and corners with two equivalent O(2)Li2CuP trigonal pyramids. In the twelfth O site, O(12) is bonded in a distorted rectangular see-saw-like geometry to one Li(4), one Cu(2), one Cu(4), and one P(3) atom. In the thirteenth O site, O(13) is bonded to one Li(1), one Cu(3), one Cu(5), and one P(4) atom to form distorted OLiCu2P tetrahedra that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(15)LiCu2P tetrahedra,  a cornercorner with one O(4)LiCu2P tetrahedra, corners with two equivalent O(1)Li2CuP tetrahedra, corners with two equivalent O(8)Li3P tetrahedra,  a cornercorner with one O(2)Li2CuP trigonal pyramid, and corners with two equivalent O(10)Li2CuP trigonal pyramids. In the fourteenth O site, O(14) is bonded to one Li(2), one Cu(4), one Cu(6), and one P(3) atom to form distorted OLiCu2P tetrahedra that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(15)LiCu2P tetrahedra,  a cornercorner with one O(4)LiCu2P tetrahedra, corners with two equivalent O(3)Li2CuP tetrahedra, corners with two equivalent O(7)Li2CuP tetrahedra, and  a cornercorner with one O(2)Li2CuP trigonal pyramid. In the fifteenth O site, O(15) is bonded to one Li(6), one Cu(4), one Cu(5), and one P(2) atom to form distorted OLiCu2P tetrahedra that share  a cornercorner with one O(1)Li2CuP tetrahedra,  a cornercorner with one O(3)Li2CuP tetrahedra,  a cornercorner with one O(13)LiCu2P tetrahedra,  a cornercorner with one O(14)LiCu2P tetrahedra, corners with two equivalent O(11)Li2CuP tetrahedra, corners with two equivalent O(5)Li3P tetrahedra,  a cornercorner with one O(10)Li2CuP trigonal pyramid, and corners with two equivalent O(2)Li2CuP trigonal pyramids. In the sixteenth O site, O(16) is bonded in a distorted rectangular see-saw-like geometry to one Cu(2), one Cu(3), one Cu(6), and one P(1) atom.