CsAu3S2 crystallizes in the trigonal P-3m1 space group. Cs(1) is bonded in a 18-coordinate geometry to twelve equivalent Au(1) and six equivalent S(1) atoms. Au(1) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent S(1) atoms. S(1) is bonded to three equivalent Cs(1) and three equivalent Au(1) atoms to form a mixture of distorted corner and edge-sharing SCs3Au3 octahedra. The corner-sharing octahedral tilt angles range from 0-69°.
CsAu3S2 crystallizes in the trigonal P-3m1 space group. Cs(1) is bonded in a 18-coordinate geometry to twelve equivalent Au(1) and six equivalent S(1) atoms. All Cs(1)-Au(1) bond lengths are 4.09 Å. All Cs(1)-S(1) bond lengths are 3.84 Å. Au(1) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent S(1) atoms. Both Au(1)-S(1) bond lengths are 2.32 Å. S(1) is bonded to three equivalent Cs(1) and three equivalent Au(1) atoms to form a mixture of distorted corner and edge-sharing SCs3Au3 octahedra. The corner-sharing octahedral tilt angles range from 0-69°.