Li2Cu3F7 crystallizes in the orthorhombic Pbam space group. Li(1) is bonded to one F(2), one F(3), and two equivalent F(4) atoms to form LiF4 tetrahedra that share corners with two equivalent Li(1)F4 tetrahedra and corners with four equivalent Cu(2)F5 trigonal bipyramids. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to four equivalent F(2) atoms. In the second Cu site, Cu(2) is bonded to one F(4), two equivalent F(1), and two equivalent F(3) atoms to form distorted CuF5 trigonal bipyramids that share corners with four equivalent Li(1)F4 tetrahedra, corners with two equivalent Cu(2)F5 trigonal bipyramids, and edges with three equivalent Cu(2)F5 trigonal bipyramids. There are four inequivalent F sites. In the first F site, F(1) is bonded in a square co-planar geometry to four equivalent Cu(2) atoms. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent Cu(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Cu(2) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Cu(2) atom.
Li2Cu3F7 crystallizes in the orthorhombic Pbam space group. Li(1) is bonded to one F(2), one F(3), and two equivalent F(4) atoms to form LiF4 tetrahedra that share corners with two equivalent Li(1)F4 tetrahedra and corners with four equivalent Cu(2)F5 trigonal bipyramids. The Li(1)-F(2) bond length is 1.97 Å. The Li(1)-F(3) bond length is 1.91 Å. Both Li(1)-F(4) bond lengths are 1.82 Å. There are two inequivalent Cu sites. In the first Cu site, Cu(1) is bonded in a square co-planar geometry to four equivalent F(2) atoms. All Cu(1)-F(2) bond lengths are 1.99 Å. In the second Cu site, Cu(2) is bonded to one F(4), two equivalent F(1), and two equivalent F(3) atoms to form distorted CuF5 trigonal bipyramids that share corners with four equivalent Li(1)F4 tetrahedra, corners with two equivalent Cu(2)F5 trigonal bipyramids, and edges with three equivalent Cu(2)F5 trigonal bipyramids. The Cu(2)-F(4) bond length is 2.02 Å. Both Cu(2)-F(1) bond lengths are 2.15 Å. Both Cu(2)-F(3) bond lengths are 1.98 Å. There are four inequivalent F sites. In the first F site, F(1) is bonded in a square co-planar geometry to four equivalent Cu(2) atoms. In the second F site, F(2) is bonded in a trigonal non-coplanar geometry to one Li(1) and two equivalent Cu(1) atoms. In the third F site, F(3) is bonded in a distorted trigonal planar geometry to one Li(1) and two equivalent Cu(2) atoms. In the fourth F site, F(4) is bonded in a trigonal planar geometry to two equivalent Li(1) and one Cu(2) atom.