Materials Data on CsAu3Se2 by Materials Project
CsAu3Se2 crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cs1+ is bonded in a distorted hexagonal planar geometry to six equivalent Se2- atoms. All Cs–Se bond lengths are 3.94 Å. Au1+ is bonded in a distorted linear geometry to two equivalent Se2- atoms. Both Au–Se bond lengths are 2.47 Å. Se2- is bonded to three equivalent Cs1+ and three equivalent Au1+ atoms to form a mixture of distorted edge and corner-sharing SeCs3Au3 octahedra. The corner-sharing octahedra tilt angles range from 0–70°.
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