Materials Data on LuTlS2 by Materials Project
LuTlS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Lu3+ is bonded to six equivalent S2- atoms to form edge-sharing LuS6 octahedra. All Lu–S bond lengths are 2.71 Å. Tl1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All Tl–S bond lengths are 3.25 Å. S2- is bonded to three equivalent Lu3+ and three equivalent Tl1+ atoms to form a mixture of distorted corner and edge-sharing SLu3Tl3 octahedra. The corner-sharing octahedral tilt angles are 0°.
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