Materials Data on CsCu3S2 by Materials Project
CsCu3S2 is High-temperature superconductor-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent S2- atoms to form edge-sharing CsS6 octahedra. All Cs–S bond lengths are 3.59 Å. Cu1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Cu–S bond lengths are 2.18 Å. S2- is bonded to three equivalent Cs1+ and three equivalent Cu1+ atoms to form a mixture of distorted corner and edge-sharing SCs3Cu3 octahedra. The corner-sharing octahedra tilt angles range from 0–83°.
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