Materials Data on CsYbS2 by Materials Project
CsYbS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m 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 3.51 Å. Yb3+ is bonded to six equivalent S2- atoms to form edge-sharing YbS6 octahedra. All Yb–S bond lengths are 2.83 Å. S2- is bonded to three equivalent Cs1+ and three equivalent Yb3+ atoms to form a mixture of distorted edge and corner-sharing SCs3Yb3 octahedra. The corner-sharing octahedral tilt angles are 0°.
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