Materials Data on KNbS2 by Materials Project
KNbS2 is Tungsten Carbide-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. K1+ is bonded in a 6-coordinate geometry to six equivalent S2- atoms. All K–S bond lengths are 3.10 Å. Nb3+ is bonded to six equivalent S2- atoms to form distorted edge-sharing NbS6 pentagonal pyramids. All Nb–S bond lengths are 2.53 Å. S2- is bonded in a 6-coordinate geometry to three equivalent K1+ and three equivalent Nb3+ atoms.
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