Materials Data on CsAu3S2 by Materials Project
CsAu3S2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All Cs–S bond lengths are 3.96 Å. Au1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Au–S bond lengths are 2.35 Å. S2- is bonded to three equivalent Cs1+ and three equivalent Au1+ atoms to form a mixture of distorted corner and edge-sharing SCs3Au3 octahedra. The corner-sharing octahedra tilt angles range from 0–71°.
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