Li3CuS2 crystallizes in the cubic I4_132 space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent S(1) atoms. Cu(1) is bonded in a distorted linear geometry to two equivalent S(1) atoms. S(1) is bonded to six equivalent Li(1) and one Cu(1) atom to form a mixture of distorted corner and edge-sharing SLi6Cu hexagonal pyramids.
Li3CuS2 crystallizes in the cubic I4_132 space group. Li(1) is bonded in a 4-coordinate geometry to four equivalent S(1) atoms. There are two shorter (2.49 Å) and two longer (2.65 Å) Li(1)-S(1) bond lengths. Cu(1) is bonded in a distorted linear geometry to two equivalent S(1) atoms. Both Cu(1)-S(1) bond lengths are 2.14 Å. S(1) is bonded to six equivalent Li(1) and one Cu(1) atom to form a mixture of distorted corner and edge-sharing SLi6Cu hexagonal pyramids.