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DOE OSTI · 1355566

Materials Data on Nb2CoS4 by Materials Project

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Abstract

CoNb2S4 is beta indium sulfide-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one CoNb2S4 sheet oriented in the (0, 0, 1) direction. Nb+3.50+ is bonded in a rectangular see-saw-like geometry to four S2- atoms. There are one shorter (2.43 Å) and three longer (2.44 Å) Nb–S bond lengths. Co1+ is bonded to six equivalent S2- atoms to form edge-sharing CoS6 octahedra. All Co–S bond lengths are 2.26 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted rectangular see-saw-like geometry to one Nb+3.50+ and three equivalent Co1+ atoms. In the second S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Nb+3.50+ atoms.

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36 MATERIALS SCIENCECo-Nb-Scrystal structureNb2CoS4

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2020-07-18. Materials Data on Nb2CoS4 by Materials Project. https://doi.org/10.17188/1355566

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36 MATERIALS SCIENCE↗