Materials Data on NaCu5S3 by Materials Project

Kristin Persson
NaCu5S3 crystallizes in the hexagonal P6_322 space group. The structure is three-dimensional. Na1+ is bonded in a 9-coordinate geometry to three equivalent Cu1+ and six equivalent S2- atoms. All Na–Cu bond lengths are 2.72 Å. All Na–S bond lengths are 3.06 Å. There are two inequivalent Cu1+ sites. In the first Cu1+ site, Cu1+ is bonded in a 2-coordinate geometry to one Na1+ and two equivalent S2- atoms. Both Cu–S bond lengths are 2.23 Å....
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