Li2CuPO4 is beta beryllia-derived structured and crystallizes in the triclinic P1 space group. There are eight 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 Li(4)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra,  a cornercorner with one Cu(4)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Cu(1)O4 tetrahedra, corners with two equivalent Cu(2)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 Li(4)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra,  a cornercorner with one Cu(4)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 Li(8)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(5)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with two equivalent Cu(3)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the fourth Li site, Li(4) is bonded to one O(4), one O(6), one O(7), and one O(9) 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(5)O4 tetrahedra,  a cornercorner with one Cu(1)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(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the fifth Li site, Li(5) 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(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)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(8)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. In the sixth Li site, Li(6) is bonded to one O(12), one O(16), one O(6), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Cu(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. In the seventh Li site, Li(7) 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(5)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(2)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(3)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the eighth Li site, Li(8) is bonded to one O(12), one O(14), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra,  a cornercorner with one Cu(4)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(5)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(10), one O(6), and one O(8) atom to form CuO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)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(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the second Cu site, Cu(2) 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 Li(7)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra,  a cornercorner with one Cu(4)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(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. In the third Cu site, Cu(3) 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 Li(8)O4 tetrahedra,  a cornercorner with one Cu(2)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(7)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. In the fourth Cu site, Cu(4) 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 Li(8)O4 tetrahedra,  a cornercorner with one Cu(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. 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(5)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, and corners with two equivalent Cu(4)O4 tetrahedra. 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(5)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, and corners with two equivalent Cu(3)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(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra,  a cornercorner with one Cu(4)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, and corners with two equivalent Li(8)O4 tetrahedra. 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(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra,  a cornercorner with one Cu(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Cu(1)O4 tetrahedra, and corners with two equivalent Cu(2)O4 tetrahedra. There are sixteen inequivalent O sites. In the first O site, O(1) is bonded to one Li(1), one Cu(1), one Cu(2), and one P(2) atom to form distorted OLiCu2P tetrahedra that share  a cornercorner with one O(15)Li2CuP tetrahedra,  a cornercorner with one O(2)Li2CuP tetrahedra,  a cornercorner with one O(4)Li2CuP tetrahedra,  a cornercorner with one O(6)Li2CuP tetrahedra,  a cornercorner with one O(5)Li3P tetrahedra,  a cornercorner with one O(16)LiCu2P tetrahedra, corners with two equivalent O(8)Li2CuP tetrahedra, corners with two equivalent O(10)LiCu2P tetrahedra, and corners with two equivalent O(13)LiCu2P tetrahedra. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Cu(3), and one P(2) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(14)Li2CuP tetrahedra,  a cornercorner with one O(8)Li2CuP tetrahedra,  a cornercorner with one O(3)Li3P tetrahedra,  a cornercorner with one O(7)Li3P tetrahedra,  a cornercorner with one O(1)LiCu2P tetrahedra,  a cornercorner with one O(13)LiCu2P tetrahedra, corners with two equivalent O(11)Li2CuP tetrahedra, corners with two equivalent O(15)Li2CuP tetrahedra, and corners with two equivalent O(5)Li3P tetrahedra. In the third O site, O(3) is bonded to one Li(2), one Li(5), one Li(8), and one P(1) atom to form OLi3P tetrahedra that share  a cornercorner with one O(15)Li2CuP tetrahedra,  a cornercorner with one O(2)Li2CuP tetrahedra,  a cornercorner with one O(4)Li2CuP tetrahedra,  a cornercorner with one O(6)Li2CuP tetrahedra,  a cornercorner with one O(5)Li3P tetrahedra,  a cornercorner with one O(16)LiCu2P tetrahedra, corners with two equivalent O(14)Li2CuP tetrahedra, corners with two equivalent O(12)Li3P tetrahedra, and corners with two equivalent O(7)Li3P tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Li(4), one Cu(4), and one P(1) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(14)Li2CuP tetrahedra,  a cornercorner with one O(8)Li2CuP tetrahedra,  a cornercorner with one O(3)Li3P tetrahedra,  a cornercorner with one O(7)Li3P tetrahedra,  a cornercorner with one O(1)LiCu2P tetrahedra,  a cornercorner with one O(13)LiCu2P tetrahedra, corners with two equivalent O(6)Li2CuP tetrahedra, corners with two equivalent O(9)Li2CuP tetrahedra, and corners with two equivalent O(16)LiCu2P tetrahedra. In the fifth O site, O(5) is bonded to one Li(3), one Li(5), one Li(7), and one P(2) atom to form OLi3P tetrahedra that share  a cornercorner with one O(8)Li2CuP tetrahedra,  a cornercorner with one O(12)Li3P tetrahedra,  a cornercorner with one O(3)Li3P tetrahedra,  a cornercorner with one O(7)Li3P tetrahedra,  a cornercorner with one O(1)LiCu2P tetrahedra,  a cornercorner with one O(10)LiCu2P tetrahedra, corners with two equivalent O(11)Li2CuP tetrahedra, corners with two equivalent O(15)Li2CuP tetrahedra, and corners with two equivalent O(2)Li2CuP tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one Li(6), one Cu(1), and one P(1) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(8)Li2CuP tetrahedra,  a cornercorner with one O(12)Li3P tetrahedra,  a cornercorner with one O(3)Li3P tetrahedra,  a cornercorner with one O(7)Li3P tetrahedra,  a cornercorner with one O(1)LiCu2P tetrahedra,  a cornercorner with one O(10)LiCu2P tetrahedra, corners with two equivalent O(4)Li2CuP tetrahedra, corners with two equivalent O(9)Li2CuP tetrahedra, and corners with two equivalent O(16)LiCu2P tetrahedra. In the seventh O site, O(7) is bonded to one Li(2), one Li(4), one Li(5), and one P(3) atom to form OLi3P tetrahedra that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(2)Li2CuP tetrahedra,  a cornercorner with one O(4)Li2CuP tetrahedra,  a cornercorner with one O(6)Li2CuP tetrahedra,  a cornercorner with one O(9)Li2CuP tetrahedra,  a cornercorner with one O(5)Li3P tetrahedra, corners with two equivalent O(14)Li2CuP tetrahedra, corners with two equivalent O(12)Li3P tetrahedra, and corners with two equivalent O(3)Li3P tetrahedra. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Cu(1), and one P(4) atom to form OLi2CuP tetrahedra that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(2)Li2CuP tetrahedra,  a cornercorner with one O(4)Li2CuP tetrahedra,  a cornercorner with one O(6)Li2CuP tetrahedra,  a cornercorner with one O(9)Li2CuP tetrahedra,  a cornercorner with one O(5)Li3P tetrahedra, corners with two equivalent O(1)LiCu2P tetrahedra, corners with two equivalent O(10)LiCu2P tetrahedra, and corners with two equivalent O(13)LiCu2P tetrahedra. In the ninth O site, O(9) is bonded to one Li(4), one Li(6), one Cu(4), and one P(4) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(14)Li2CuP tetrahedra,  a cornercorner with one O(8)Li2CuP tetrahedra,  a cornercorner with one O(12)Li3P tetrahedra,  a cornercorner with one O(7)Li3P tetrahedra,  a cornercorner with one O(10)LiCu2P tetrahedra,  a cornercorner with one O(13)LiCu2P tetrahedra, corners with two equivalent O(4)Li2CuP tetrahedra, corners with two equivalent O(6)Li2CuP tetrahedra, and corners with two equivalent O(16)LiCu2P tetrahedra. In the tenth O site, O(10) is bonded to one Li(7), one Cu(1), one Cu(2), 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)Li2CuP tetrahedra,  a cornercorner with one O(6)Li2CuP tetrahedra,  a cornercorner with one O(9)Li2CuP tetrahedra,  a cornercorner with one O(5)Li3P tetrahedra,  a cornercorner with one O(16)LiCu2P tetrahedra, corners with two equivalent O(8)Li2CuP tetrahedra, corners with two equivalent O(1)LiCu2P 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(7), one Cu(3), and one P(3) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(14)Li2CuP tetrahedra,  a cornercorner with one O(8)Li2CuP tetrahedra,  a cornercorner with one O(12)Li3P tetrahedra,  a cornercorner with one O(7)Li3P tetrahedra,  a cornercorner with one O(10)LiCu2P tetrahedra,  a cornercorner with one O(13)LiCu2P tetrahedra, corners with two equivalent O(15)Li2CuP tetrahedra, corners with two equivalent O(2)Li2CuP tetrahedra, and corners with two equivalent O(5)Li3P tetrahedra. In the twelfth O site, O(12) is bonded to one Li(5), one Li(6), one Li(8), and one P(3) atom to form distorted OLi3P tetrahedra that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(15)Li2CuP tetrahedra,  a cornercorner with one O(6)Li2CuP tetrahedra,  a cornercorner with one O(9)Li2CuP tetrahedra,  a cornercorner with one O(5)Li3P tetrahedra,  a cornercorner with one O(16)LiCu2P tetrahedra, corners with two equivalent O(14)Li2CuP tetrahedra, corners with two equivalent O(3)Li3P tetrahedra, and corners with two equivalent O(7)Li3P tetrahedra. In the thirteenth O site, O(13) is bonded to one Li(1), one Cu(2), one Cu(3), 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)Li2CuP tetrahedra,  a cornercorner with one O(2)Li2CuP tetrahedra,  a cornercorner with one O(4)Li2CuP tetrahedra,  a cornercorner with one O(9)Li2CuP tetrahedra,  a cornercorner with one O(16)LiCu2P tetrahedra, corners with two equivalent O(8)Li2CuP tetrahedra, corners with two equivalent O(1)LiCu2P tetrahedra, and corners with two equivalent O(10)LiCu2P tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(8), one Cu(4), and one P(3) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(15)Li2CuP tetrahedra,  a cornercorner with one O(2)Li2CuP tetrahedra,  a cornercorner with one O(4)Li2CuP tetrahedra,  a cornercorner with one O(9)Li2CuP tetrahedra,  a cornercorner with one O(16)LiCu2P tetrahedra, corners with two equivalent O(12)Li3P tetrahedra, corners with two equivalent O(3)Li3P tetrahedra, and corners with two equivalent O(7)Li3P tetrahedra. In the fifteenth O site, O(15) is bonded to one Li(7), one Li(8), one Cu(3), and one P(2) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(14)Li2CuP tetrahedra,  a cornercorner with one O(12)Li3P tetrahedra,  a cornercorner with one O(3)Li3P tetrahedra,  a cornercorner with one O(1)LiCu2P tetrahedra,  a cornercorner with one O(10)LiCu2P tetrahedra,  a cornercorner with one O(13)LiCu2P tetrahedra, corners with two equivalent O(11)Li2CuP tetrahedra, corners with two equivalent O(2)Li2CuP tetrahedra, and corners with two equivalent O(5)Li3P tetrahedra. In the sixteenth O site, O(16) is bonded to one Li(6), one Cu(2), one Cu(4), and one P(1) atom to form distorted OLiCu2P tetrahedra that share  a cornercorner with one O(14)Li2CuP tetrahedra,  a cornercorner with one O(12)Li3P tetrahedra,  a cornercorner with one O(3)Li3P tetrahedra,  a cornercorner with one O(1)LiCu2P tetrahedra,  a cornercorner with one O(10)LiCu2P tetrahedra,  a cornercorner with one O(13)LiCu2P tetrahedra, corners with two equivalent O(4)Li2CuP tetrahedra, corners with two equivalent O(6)Li2CuP tetrahedra, and corners with two equivalent O(9)Li2CuP tetrahedra.
Li2CuPO4 is beta beryllia-derived structured and crystallizes in the triclinic P1 space group. There are eight 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 Li(4)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra,  a cornercorner with one Cu(4)O4 tetrahedra,  a cornercorner with one P(1)O4 tetrahedra,  a cornercorner with one P(2)O4 tetrahedra, corners with two equivalent Cu(1)O4 tetrahedra, corners with two equivalent Cu(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The Li(1)-O(1) bond length is 1.97 Å. The Li(1)-O(13) bond length is 2.01 Å. The Li(1)-O(4) bond length is 2.06 Å. The Li(1)-O(8) bond length is 2.05 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 Li(4)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra,  a cornercorner with one Cu(4)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 Li(8)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The Li(2)-O(14) bond length is 2.04 Å. The Li(2)-O(2) bond length is 1.97 Å. The Li(2)-O(3) bond length is 1.98 Å. The Li(2)-O(7) bond length is 2.07 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(5)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, corners with two equivalent Cu(3)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The Li(3)-O(11) bond length is 1.95 Å. The Li(3)-O(2) bond length is 1.99 Å. The Li(3)-O(5) bond length is 2.01 Å. The Li(3)-O(8) bond length is 2.01 Å. In the fourth Li site, Li(4) is bonded to one O(4), one O(6), one O(7), and one O(9) 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(5)O4 tetrahedra,  a cornercorner with one Cu(1)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(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The Li(4)-O(4) bond length is 1.98 Å. The Li(4)-O(6) bond length is 1.98 Å. The Li(4)-O(7) bond length is 2.01 Å. The Li(4)-O(9) bond length is 1.97 Å. In the fifth Li site, Li(5) 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(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)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(8)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The Li(5)-O(12) bond length is 2.02 Å. The Li(5)-O(3) bond length is 1.97 Å. The Li(5)-O(5) bond length is 2.02 Å. The Li(5)-O(7) bond length is 2.03 Å. In the sixth Li site, Li(6) is bonded to one O(12), one O(16), one O(6), and one O(9) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(5)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Cu(4)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The Li(6)-O(12) bond length is 2.04 Å. The Li(6)-O(16) bond length is 2.00 Å. The Li(6)-O(6) bond length is 2.05 Å. The Li(6)-O(9) bond length is 1.98 Å. In the seventh Li site, Li(7) 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(5)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(2)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(3)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The Li(7)-O(10) bond length is 1.98 Å. The Li(7)-O(11) bond length is 1.99 Å. The Li(7)-O(15) bond length is 2.04 Å. The Li(7)-O(5) bond length is 2.09 Å. In the eighth Li site, Li(8) is bonded to one O(12), one O(14), one O(15), and one O(3) atom to form LiO4 tetrahedra that share  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra,  a cornercorner with one Cu(4)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(5)O4 tetrahedra, and corners with two equivalent P(3)O4 tetrahedra. The Li(8)-O(12) bond length is 2.01 Å. The Li(8)-O(14) bond length is 2.03 Å. The Li(8)-O(15) bond length is 1.99 Å. The Li(8)-O(3) bond length is 1.98 Å. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded to one O(1), one O(10), one O(6), and one O(8) atom to form CuO4 tetrahedra that share  a cornercorner with one Li(3)O4 tetrahedra,  a cornercorner with one Li(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)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(2)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The Cu(1)-O(1) bond length is 2.14 Å. The Cu(1)-O(10) bond length is 2.12 Å. The Cu(1)-O(6) bond length is 2.09 Å. The Cu(1)-O(8) bond length is 2.04 Å. In the second Cu site, Cu(2) 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 Li(7)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra,  a cornercorner with one Cu(4)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(1)O4 tetrahedra, and corners with two equivalent P(4)O4 tetrahedra. The Cu(2)-O(1) bond length is 2.13 Å. The Cu(2)-O(10) bond length is 2.11 Å. The Cu(2)-O(13) bond length is 2.02 Å. The Cu(2)-O(16) bond length is 2.12 Å. In the third Cu site, Cu(3) 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 Li(8)O4 tetrahedra,  a cornercorner with one Cu(2)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(7)O4 tetrahedra, and corners with two equivalent P(2)O4 tetrahedra. The Cu(3)-O(11) bond length is 2.12 Å. The Cu(3)-O(13) bond length is 2.12 Å. The Cu(3)-O(15) bond length is 2.07 Å. The Cu(3)-O(2) bond length is 2.13 Å. In the fourth Cu site, Cu(4) 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 Li(8)O4 tetrahedra,  a cornercorner with one Cu(2)O4 tetrahedra,  a cornercorner with one P(3)O4 tetrahedra,  a cornercorner with one P(4)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, and corners with two equivalent P(1)O4 tetrahedra. The Cu(4)-O(14) bond length is 2.11 Å. The Cu(4)-O(16) bond length is 2.07 Å. The Cu(4)-O(4) bond length is 2.10 Å. The Cu(4)-O(9) bond length is 2.14 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(5)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(2)O4 tetrahedra, corners with two equivalent Li(4)O4 tetrahedra, corners with two equivalent Li(6)O4 tetrahedra, and corners with two equivalent Cu(4)O4 tetrahedra. The P(1)-O(16) bond length is 1.57 Å. The P(1)-O(3) bond length is 1.55 Å. The P(1)-O(4) bond length is 1.56 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(5)O4 tetrahedra,  a cornercorner with one Li(8)O4 tetrahedra,  a cornercorner with one Cu(1)O4 tetrahedra,  a cornercorner with one Cu(2)O4 tetrahedra, corners with two equivalent Li(3)O4 tetrahedra, corners with two equivalent Li(7)O4 tetrahedra, and corners with two equivalent Cu(3)O4 tetrahedra. The P(2)-O(1) bond length is 1.57 Å. The P(2)-O(15) bond length is 1.57 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(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra,  a cornercorner with one Cu(4)O4 tetrahedra, corners with two equivalent Li(2)O4 tetrahedra, corners with two equivalent Li(5)O4 tetrahedra, and corners with two equivalent Li(8)O4 tetrahedra. The P(3)-O(11) bond length is 1.57 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 1.57 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(4)O4 tetrahedra,  a cornercorner with one Li(6)O4 tetrahedra,  a cornercorner with one Li(7)O4 tetrahedra,  a cornercorner with one Cu(3)O4 tetrahedra,  a cornercorner with one Cu(4)O4 tetrahedra, corners with two equivalent Li(1)O4 tetrahedra, corners with two equivalent Cu(1)O4 tetrahedra, and corners with two equivalent Cu(2)O4 tetrahedra. 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 1.57 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 Cu(1), one Cu(2), and one P(2) atom to form distorted OLiCu2P tetrahedra that share  a cornercorner with one O(15)Li2CuP tetrahedra,  a cornercorner with one O(2)Li2CuP tetrahedra,  a cornercorner with one O(4)Li2CuP tetrahedra,  a cornercorner with one O(6)Li2CuP tetrahedra,  a cornercorner with one O(5)Li3P tetrahedra,  a cornercorner with one O(16)LiCu2P tetrahedra, corners with two equivalent O(8)Li2CuP tetrahedra, corners with two equivalent O(10)LiCu2P tetrahedra, and corners with two equivalent O(13)LiCu2P tetrahedra. In the second O site, O(2) is bonded to one Li(2), one Li(3), one Cu(3), and one P(2) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(14)Li2CuP tetrahedra,  a cornercorner with one O(8)Li2CuP tetrahedra,  a cornercorner with one O(3)Li3P tetrahedra,  a cornercorner with one O(7)Li3P tetrahedra,  a cornercorner with one O(1)LiCu2P tetrahedra,  a cornercorner with one O(13)LiCu2P tetrahedra, corners with two equivalent O(11)Li2CuP tetrahedra, corners with two equivalent O(15)Li2CuP tetrahedra, and corners with two equivalent O(5)Li3P tetrahedra. In the third O site, O(3) is bonded to one Li(2), one Li(5), one Li(8), and one P(1) atom to form OLi3P tetrahedra that share  a cornercorner with one O(15)Li2CuP tetrahedra,  a cornercorner with one O(2)Li2CuP tetrahedra,  a cornercorner with one O(4)Li2CuP tetrahedra,  a cornercorner with one O(6)Li2CuP tetrahedra,  a cornercorner with one O(5)Li3P tetrahedra,  a cornercorner with one O(16)LiCu2P tetrahedra, corners with two equivalent O(14)Li2CuP tetrahedra, corners with two equivalent O(12)Li3P tetrahedra, and corners with two equivalent O(7)Li3P tetrahedra. In the fourth O site, O(4) is bonded to one Li(1), one Li(4), one Cu(4), and one P(1) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(14)Li2CuP tetrahedra,  a cornercorner with one O(8)Li2CuP tetrahedra,  a cornercorner with one O(3)Li3P tetrahedra,  a cornercorner with one O(7)Li3P tetrahedra,  a cornercorner with one O(1)LiCu2P tetrahedra,  a cornercorner with one O(13)LiCu2P tetrahedra, corners with two equivalent O(6)Li2CuP tetrahedra, corners with two equivalent O(9)Li2CuP tetrahedra, and corners with two equivalent O(16)LiCu2P tetrahedra. In the fifth O site, O(5) is bonded to one Li(3), one Li(5), one Li(7), and one P(2) atom to form OLi3P tetrahedra that share  a cornercorner with one O(8)Li2CuP tetrahedra,  a cornercorner with one O(12)Li3P tetrahedra,  a cornercorner with one O(3)Li3P tetrahedra,  a cornercorner with one O(7)Li3P tetrahedra,  a cornercorner with one O(1)LiCu2P tetrahedra,  a cornercorner with one O(10)LiCu2P tetrahedra, corners with two equivalent O(11)Li2CuP tetrahedra, corners with two equivalent O(15)Li2CuP tetrahedra, and corners with two equivalent O(2)Li2CuP tetrahedra. In the sixth O site, O(6) is bonded to one Li(4), one Li(6), one Cu(1), and one P(1) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(8)Li2CuP tetrahedra,  a cornercorner with one O(12)Li3P tetrahedra,  a cornercorner with one O(3)Li3P tetrahedra,  a cornercorner with one O(7)Li3P tetrahedra,  a cornercorner with one O(1)LiCu2P tetrahedra,  a cornercorner with one O(10)LiCu2P tetrahedra, corners with two equivalent O(4)Li2CuP tetrahedra, corners with two equivalent O(9)Li2CuP tetrahedra, and corners with two equivalent O(16)LiCu2P tetrahedra. In the seventh O site, O(7) is bonded to one Li(2), one Li(4), one Li(5), and one P(3) atom to form OLi3P tetrahedra that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(2)Li2CuP tetrahedra,  a cornercorner with one O(4)Li2CuP tetrahedra,  a cornercorner with one O(6)Li2CuP tetrahedra,  a cornercorner with one O(9)Li2CuP tetrahedra,  a cornercorner with one O(5)Li3P tetrahedra, corners with two equivalent O(14)Li2CuP tetrahedra, corners with two equivalent O(12)Li3P tetrahedra, and corners with two equivalent O(3)Li3P tetrahedra. In the eighth O site, O(8) is bonded to one Li(1), one Li(3), one Cu(1), and one P(4) atom to form OLi2CuP tetrahedra that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(2)Li2CuP tetrahedra,  a cornercorner with one O(4)Li2CuP tetrahedra,  a cornercorner with one O(6)Li2CuP tetrahedra,  a cornercorner with one O(9)Li2CuP tetrahedra,  a cornercorner with one O(5)Li3P tetrahedra, corners with two equivalent O(1)LiCu2P tetrahedra, corners with two equivalent O(10)LiCu2P tetrahedra, and corners with two equivalent O(13)LiCu2P tetrahedra. In the ninth O site, O(9) is bonded to one Li(4), one Li(6), one Cu(4), and one P(4) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(14)Li2CuP tetrahedra,  a cornercorner with one O(8)Li2CuP tetrahedra,  a cornercorner with one O(12)Li3P tetrahedra,  a cornercorner with one O(7)Li3P tetrahedra,  a cornercorner with one O(10)LiCu2P tetrahedra,  a cornercorner with one O(13)LiCu2P tetrahedra, corners with two equivalent O(4)Li2CuP tetrahedra, corners with two equivalent O(6)Li2CuP tetrahedra, and corners with two equivalent O(16)LiCu2P tetrahedra. In the tenth O site, O(10) is bonded to one Li(7), one Cu(1), one Cu(2), 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)Li2CuP tetrahedra,  a cornercorner with one O(6)Li2CuP tetrahedra,  a cornercorner with one O(9)Li2CuP tetrahedra,  a cornercorner with one O(5)Li3P tetrahedra,  a cornercorner with one O(16)LiCu2P tetrahedra, corners with two equivalent O(8)Li2CuP tetrahedra, corners with two equivalent O(1)LiCu2P 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(7), one Cu(3), and one P(3) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(14)Li2CuP tetrahedra,  a cornercorner with one O(8)Li2CuP tetrahedra,  a cornercorner with one O(12)Li3P tetrahedra,  a cornercorner with one O(7)Li3P tetrahedra,  a cornercorner with one O(10)LiCu2P tetrahedra,  a cornercorner with one O(13)LiCu2P tetrahedra, corners with two equivalent O(15)Li2CuP tetrahedra, corners with two equivalent O(2)Li2CuP tetrahedra, and corners with two equivalent O(5)Li3P tetrahedra. In the twelfth O site, O(12) is bonded to one Li(5), one Li(6), one Li(8), and one P(3) atom to form distorted OLi3P tetrahedra that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(15)Li2CuP tetrahedra,  a cornercorner with one O(6)Li2CuP tetrahedra,  a cornercorner with one O(9)Li2CuP tetrahedra,  a cornercorner with one O(5)Li3P tetrahedra,  a cornercorner with one O(16)LiCu2P tetrahedra, corners with two equivalent O(14)Li2CuP tetrahedra, corners with two equivalent O(3)Li3P tetrahedra, and corners with two equivalent O(7)Li3P tetrahedra. In the thirteenth O site, O(13) is bonded to one Li(1), one Cu(2), one Cu(3), 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)Li2CuP tetrahedra,  a cornercorner with one O(2)Li2CuP tetrahedra,  a cornercorner with one O(4)Li2CuP tetrahedra,  a cornercorner with one O(9)Li2CuP tetrahedra,  a cornercorner with one O(16)LiCu2P tetrahedra, corners with two equivalent O(8)Li2CuP tetrahedra, corners with two equivalent O(1)LiCu2P tetrahedra, and corners with two equivalent O(10)LiCu2P tetrahedra. In the fourteenth O site, O(14) is bonded to one Li(2), one Li(8), one Cu(4), and one P(3) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(11)Li2CuP tetrahedra,  a cornercorner with one O(15)Li2CuP tetrahedra,  a cornercorner with one O(2)Li2CuP tetrahedra,  a cornercorner with one O(4)Li2CuP tetrahedra,  a cornercorner with one O(9)Li2CuP tetrahedra,  a cornercorner with one O(16)LiCu2P tetrahedra, corners with two equivalent O(12)Li3P tetrahedra, corners with two equivalent O(3)Li3P tetrahedra, and corners with two equivalent O(7)Li3P tetrahedra. In the fifteenth O site, O(15) is bonded to one Li(7), one Li(8), one Cu(3), and one P(2) atom to form distorted OLi2CuP tetrahedra that share  a cornercorner with one O(14)Li2CuP tetrahedra,  a cornercorner with one O(12)Li3P tetrahedra,  a cornercorner with one O(3)Li3P tetrahedra,  a cornercorner with one O(1)LiCu2P tetrahedra,  a cornercorner with one O(10)LiCu2P tetrahedra,  a cornercorner with one O(13)LiCu2P tetrahedra, corners with two equivalent O(11)Li2CuP tetrahedra, corners with two equivalent O(2)Li2CuP tetrahedra, and corners with two equivalent O(5)Li3P tetrahedra. In the sixteenth O site, O(16) is bonded to one Li(6), one Cu(2), one Cu(4), and one P(1) atom to form distorted OLiCu2P tetrahedra that share  a cornercorner with one O(14)Li2CuP tetrahedra,  a cornercorner with one O(12)Li3P tetrahedra,  a cornercorner with one O(3)Li3P tetrahedra,  a cornercorner with one O(1)LiCu2P tetrahedra,  a cornercorner with one O(10)LiCu2P tetrahedra,  a cornercorner with one O(13)LiCu2P tetrahedra, corners with two equivalent O(4)Li2CuP tetrahedra, corners with two equivalent O(6)Li2CuP tetrahedra, and corners with two equivalent O(9)Li2CuP tetrahedra.