Materials Data on Nb3WS8 by Materials Project
(NbS2)3WS2 is Molybdenite-derived structured and crystallizes in the trigonal R3m space group. The structure is two-dimensional and consists of nine NbS2 sheets oriented in the (0, 0, 1) direction and three WS2 sheets oriented in the (0, 0, 1) direction. In each NbS2 sheet, Nb+4.67+ is bonded to six equivalent S2- atoms to form distorted edge-sharing NbS6 pentagonal pyramids. All Nb–S bond lengths are 2.49 Å. S2- is bonded in a 3-coordinate geometry to three equivalent Nb+4.67+ atoms. In each WS2 sheet, W2+ is bonded to six equivalent S2- atoms to form distorted edge-sharing WS6 pentagonal pyramids. All W–S bond lengths are 2.45 Å. S2- is bonded in a 3-coordinate geometry to three equivalent W2+ atoms.
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