Li2Cu7F16 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 5-coordinate geometry to one F(1), one F(3), one F(8), and two equivalent F(4) atoms. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 7-coordinate geometry to one F(1), one F(4), one F(5), one F(6), one F(8), and two equivalent F(2) atoms. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(8), and two equivalent F(5) atoms. In the third Cu site, Cu(3) is bonded in a 6-coordinate geometry to one F(1), one F(5), one F(7), one F(8), and two equivalent F(6) atoms. In the fourth Cu site, Cu(4) is bonded in a distorted octahedral geometry to two equivalent F(3), two equivalent F(4), and two equivalent F(7) atoms. There are eight inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Cu(1), one Cu(2), and one Cu(3) atom to form FLiCu3 tetrahedra that share corners with four equivalent F(8)LiCu3 tetrahedra,  a cornercorner with one F(4)Li2Cu2 trigonal pyramid, and  an edgeedge with one F(4)Li2Cu2 trigonal pyramid. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Cu(2) and two equivalent Cu(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cu(2), and one Cu(4) atom. In the fourth F site, F(4) is bonded to two equivalent Li(1), one Cu(1), and one Cu(4) atom to form distorted FLi2Cu2 trigonal pyramids that share  a cornercorner with one F(1)LiCu3 tetrahedra,  a cornercorner with one F(8)LiCu3 tetrahedra,  a cornercorner with one F(4)Li2Cu2 trigonal pyramid,  an edgeedge with one F(1)LiCu3 tetrahedra,  an edgeedge with one F(8)LiCu3 tetrahedra, and  an edgeedge with one F(4)Li2Cu2 trigonal pyramid. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Cu(1), one Cu(3), and two equivalent Cu(2) atoms. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Cu(1) and two equivalent Cu(3) atoms. In the seventh F site, F(7) is bonded in a distorted bent 120 degrees geometry to one Cu(3) and one Cu(4) atom. In the eighth F site, F(8) is bonded to one Li(1), one Cu(1), one Cu(2), and one Cu(3) atom to form distorted FLiCu3 tetrahedra that share corners with four equivalent F(1)LiCu3 tetrahedra,  a cornercorner with one F(4)Li2Cu2 trigonal pyramid, and  an edgeedge with one F(4)Li2Cu2 trigonal pyramid.
Li2Cu7F16 crystallizes in the triclinic P-1 space group. Li(1) is bonded in a 5-coordinate geometry to one F(1), one F(3), one F(8), and two equivalent F(4) atoms. The Li(1)-F(1) bond length is 1.96 Å. The Li(1)-F(3) bond length is 2.28 Å. The Li(1)-F(8) bond length is 2.49 Å. There is one shorter (2.25 Å) and one longer (2.42 Å) Li(1)-F(4) bond length. There are four inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a 7-coordinate geometry to one F(1), one F(4), one F(5), one F(6), one F(8), and two equivalent F(2) atoms. The Cu(1)-F(1) bond length is 2.33 Å. The Cu(1)-F(4) bond length is 1.91 Å. The Cu(1)-F(5) bond length is 2.54 Å. The Cu(1)-F(6) bond length is 1.99 Å. The Cu(1)-F(8) bond length is 2.03 Å. There is one shorter (1.98 Å) and one longer (2.29 Å) Cu(1)-F(2) bond length. In the second Cu site, Cu(2) is bonded in a 6-coordinate geometry to one F(1), one F(2), one F(3), one F(8), and two equivalent F(5) atoms. The Cu(2)-F(1) bond length is 2.20 Å. The Cu(2)-F(2) bond length is 1.99 Å. The Cu(2)-F(3) bond length is 1.92 Å. The Cu(2)-F(8) bond length is 2.03 Å. There is one shorter (1.99 Å) and one longer (2.29 Å) Cu(2)-F(5) bond length. In the third Cu site, Cu(3) is bonded in a 6-coordinate geometry to one F(1), one F(5), one F(7), one F(8), and two equivalent F(6) atoms. The Cu(3)-F(1) bond length is 2.23 Å. The Cu(3)-F(5) bond length is 2.00 Å. The Cu(3)-F(7) bond length is 1.92 Å. The Cu(3)-F(8) bond length is 2.04 Å. There is one shorter (1.98 Å) and one longer (2.28 Å) Cu(3)-F(6) bond length. In the fourth Cu site, Cu(4) is bonded in a distorted octahedral geometry to two equivalent F(3), two equivalent F(4), and two equivalent F(7) atoms. Both Cu(4)-F(3) bond lengths are 2.07 Å. Both Cu(4)-F(4) bond lengths are 2.14 Å. Both Cu(4)-F(7) bond lengths are 1.95 Å. There are eight inequivalent F sites. In the first F site, F(1) is bonded to one Li(1), one Cu(1), one Cu(2), and one Cu(3) atom to form FLiCu3 tetrahedra that share corners with four equivalent F(8)LiCu3 tetrahedra,  a cornercorner with one F(4)Li2Cu2 trigonal pyramid, and  an edgeedge with one F(4)Li2Cu2 trigonal pyramid. In the second F site, F(2) is bonded in a 3-coordinate geometry to one Cu(2) and two equivalent Cu(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal non-coplanar geometry to one Li(1), one Cu(2), and one Cu(4) atom. In the fourth F site, F(4) is bonded to two equivalent Li(1), one Cu(1), and one Cu(4) atom to form distorted FLi2Cu2 trigonal pyramids that share  a cornercorner with one F(1)LiCu3 tetrahedra,  a cornercorner with one F(8)LiCu3 tetrahedra,  a cornercorner with one F(4)Li2Cu2 trigonal pyramid,  an edgeedge with one F(1)LiCu3 tetrahedra,  an edgeedge with one F(8)LiCu3 tetrahedra, and  an edgeedge with one F(4)Li2Cu2 trigonal pyramid. In the fifth F site, F(5) is bonded in a 4-coordinate geometry to one Cu(1), one Cu(3), and two equivalent Cu(2) atoms. In the sixth F site, F(6) is bonded in a 3-coordinate geometry to one Cu(1) and two equivalent Cu(3) atoms. In the seventh F site, F(7) is bonded in a distorted bent 120 degrees geometry to one Cu(3) and one Cu(4) atom. In the eighth F site, F(8) is bonded to one Li(1), one Cu(1), one Cu(2), and one Cu(3) atom to form distorted FLiCu3 tetrahedra that share corners with four equivalent F(1)LiCu3 tetrahedra,  a cornercorner with one F(4)Li2Cu2 trigonal pyramid, and  an edgeedge with one F(4)Li2Cu2 trigonal pyramid.