Li2CuF4 is Corundum-derived structured and crystallizes in the tetragonal I4_1/amd space group. Li(1) is bonded to six equivalent F(1) atoms to form LiF6 octahedra that share corners with six equivalent Cu(1)F4 trigonal pyramids and edges with six equivalent Li(1)F6 octahedra. Cu(1) is bonded to four equivalent F(1) atoms to form distorted CuF4 trigonal pyramids that share corners with twelve equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-79°. F(1) is bonded to three equivalent Li(1) and one Cu(1) atom to form a mixture of corner and edge-sharing FLi3Cu trigonal pyramids.
Li2CuF4 is Corundum-derived structured and crystallizes in the tetragonal I4_1/amd space group. Li(1) is bonded to six equivalent F(1) atoms to form LiF6 octahedra that share corners with six equivalent Cu(1)F4 trigonal pyramids and edges with six equivalent Li(1)F6 octahedra. There are two shorter (2.00 Å) and four longer (2.07 Å) Li(1)-F(1) bond lengths. Cu(1) is bonded to four equivalent F(1) atoms to form distorted CuF4 trigonal pyramids that share corners with twelve equivalent Li(1)F6 octahedra. The corner-sharing octahedral tilt angles range from 50-79°. All Cu(1)-F(1) bond lengths are 1.95 Å. F(1) is bonded to three equivalent Li(1) and one Cu(1) atom to form a mixture of corner and edge-sharing FLi3Cu trigonal pyramids.