CsAu3Se2 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 Se(1) atoms. Au(1) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Se(1) atoms. Se(1) is bonded to three equivalent Cs(1) and three equivalent Au(1) atoms to form a mixture of distorted corner and edge-sharing SeCs3Au3 octahedra. The corner-sharing octahedral tilt angles range from 0-67°.
CsAu3Se2 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 Se(1) atoms. All Cs(1)-Au(1) bond lengths are 4.16 Å. All Cs(1)-Se(1) bond lengths are 3.86 Å. Au(1) is bonded in a distorted linear geometry to four equivalent Cs(1) and two equivalent Se(1) atoms. Both Au(1)-Se(1) bond lengths are 2.45 Å. Se(1) is bonded to three equivalent Cs(1) and three equivalent Au(1) atoms to form a mixture of distorted corner and edge-sharing SeCs3Au3 octahedra. The corner-sharing octahedral tilt angles range from 0-67°.