Li3Cu2F7 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one F(1), one F(2), one F(3), and one F(5) atom. In the second Li site, Li(2) is bonded to one F(1), one F(2), one F(4), one F(5), and one F(7) atom to form a mixture of distorted edge and corner-sharing LiF5 square pyramids. In the third Li site, Li(3) is bonded to one F(1), one F(2), one F(3), one F(6), and one F(7) atom to form a mixture of edge and corner-sharing LiF5 square pyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one F(1), one F(4), one F(5), one F(7), and two equivalent F(2) atoms. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one F(3), one F(4), one F(5), one F(6), and one F(7) atom. There are seven inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(2), one Li(3), and one Cu(1) atom to form distorted corner-sharing FLi3Cu tetrahedra. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), and two equivalent Cu(1) atoms. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(3), and one Cu(2) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(1), and one Cu(2) atom. In the fifth F site, F(5) is bonded to one Li(1), one Li(2), one Cu(1), and one Cu(2) atom to form distorted corner-sharing FLi2Cu2 tetrahedra. In the sixth F site, F(6) is bonded in a distorted bent 120 degrees geometry to one Li(3) and one Cu(2) atom. In the seventh F site, F(7) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Cu(1), and one Cu(2) atom.
Li3Cu2F7 crystallizes in the monoclinic P2_1/c space group. There are three inequivalent Li sites. In the first Li site, Li(1) is bonded in a 4-coordinate geometry to one F(1), one F(2), one F(3), and one F(5) atom. The Li(1)-F(1) bond length is 1.97 Å. The Li(1)-F(2) bond length is 2.09 Å. The Li(1)-F(3) bond length is 1.89 Å. The Li(1)-F(5) bond length is 2.03 Å. In the second Li site, Li(2) is bonded to one F(1), one F(2), one F(4), one F(5), and one F(7) atom to form a mixture of distorted edge and corner-sharing LiF5 square pyramids. The Li(2)-F(1) bond length is 2.10 Å. The Li(2)-F(2) bond length is 2.38 Å. The Li(2)-F(4) bond length is 1.97 Å. The Li(2)-F(5) bond length is 1.97 Å. The Li(2)-F(7) bond length is 2.03 Å. In the third Li site, Li(3) is bonded to one F(1), one F(2), one F(3), one F(6), and one F(7) atom to form a mixture of edge and corner-sharing LiF5 square pyramids. The Li(3)-F(1) bond length is 2.14 Å. The Li(3)-F(2) bond length is 1.92 Å. The Li(3)-F(3) bond length is 1.99 Å. The Li(3)-F(6) bond length is 1.93 Å. The Li(3)-F(7) bond length is 2.15 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a distorted rectangular see-saw-like geometry to one F(1), one F(4), one F(5), one F(7), and two equivalent F(2) atoms. The Cu(1)-F(1) bond length is 1.94 Å. The Cu(1)-F(4) bond length is 1.93 Å. The Cu(1)-F(5) bond length is 1.94 Å. The Cu(1)-F(7) bond length is 2.56 Å. There is one shorter (1.93 Å) and one longer (2.49 Å) Cu(1)-F(2) bond length. In the second Cu site, Cu(2) is bonded in a 5-coordinate geometry to one F(3), one F(4), one F(5), one F(6), and one F(7) atom. The Cu(2)-F(3) bond length is 1.90 Å. The Cu(2)-F(4) bond length is 2.01 Å. The Cu(2)-F(5) bond length is 2.24 Å. The Cu(2)-F(6) bond length is 1.88 Å. The Cu(2)-F(7) bond length is 1.94 Å. There are seven inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Li(2), one Li(3), and one Cu(1) atom to form distorted corner-sharing FLi3Cu tetrahedra. In the second F site, F(2) is bonded in a 5-coordinate geometry to one Li(1), one Li(2), one Li(3), and two equivalent Cu(1) atoms. In the third F site, F(3) is bonded in a trigonal non-coplanar geometry to one Li(1), one Li(3), and one Cu(2) atom. In the fourth F site, F(4) is bonded in a distorted trigonal planar geometry to one Li(2), one Cu(1), and one Cu(2) atom. In the fifth F site, F(5) is bonded to one Li(1), one Li(2), one Cu(1), and one Cu(2) atom to form distorted corner-sharing FLi2Cu2 tetrahedra. In the sixth F site, F(6) is bonded in a distorted bent 120 degrees geometry to one Li(3) and one Cu(2) atom. In the seventh F site, F(7) is bonded in a 4-coordinate geometry to one Li(2), one Li(3), one Cu(1), and one Cu(2) atom.