Materials Data on NbSeS by Materials Project
NbSeS is Molybdenite-derived structured and crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of two NbSeS sheets oriented in the (0, 0, 1) direction. Nb4+ is bonded to three equivalent Se2- and three equivalent S2- atoms to form distorted edge-sharing NbSe3S3 pentagonal pyramids. All Nb–Se bond lengths are 2.63 Å. All Nb–S bond lengths are 2.48 Å. Se2- is bonded in a 3-coordinate geometry to three equivalent Nb4+ atoms. S2- is bonded in a distorted T-shaped geometry to three equivalent Nb4+ atoms.
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