Materials Data on CsLuS2 by Materials Project
CsLuS2 is H-Phase structured and crystallizes in the hexagonal P6_3/mmc 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 3.48 Å. Lu3+ is bonded to six equivalent S2- atoms to form edge-sharing LuS6 octahedra. All Lu–S bond lengths are 2.73 Å. S2- is bonded to three equivalent Cs1+ and three equivalent Lu3+ atoms to form a mixture of distorted corner, edge, and face-sharing SCs3Lu3 octahedra. The corner-sharing octahedra tilt angles range from 0–39°.
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