Materials Data on CsCuTeS3 by Materials Project
CsCuTeS3 crystallizes in the cubic P2_13 space group. The structure is three-dimensional. Cs1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. There are three shorter (3.71 Å) and three longer (3.74 Å) Cs–S bond lengths. Cu1+ is bonded in a trigonal planar geometry to three equivalent S2- atoms. All Cu–S bond lengths are 2.24 Å. Te4+ is bonded in a distorted trigonal non-coplanar geometry to three equivalent S2- atoms. All Te–S bond lengths are 2.39 Å. S2- is bonded in a 2-coordinate geometry to two equivalent Cs1+, one Cu1+, and one Te4+ atom.
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