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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Nb2CS2 by Materials Project

Nb2S2C crystallizes in the trigonal R-3m space group. The structure is two-dimensional and consists of three Nb2S2C sheets oriented in the (0, 0, 1) direction. Nb4+ is bonded to three equivalent C4- and three equivalent S2- atoms to form a mixture of edge and corner-sharing NbC3S3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–C bond lengths are 2.24 Å. All Nb–S bond lengths are 2.52 Å. C4- is bonded to six equivalent Nb4+ atoms to form edge-sharing CNb6 octahedra. S2- is bonded in a 3-coordinate geometry to three equivalent Nb4+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Nb2CS2 by Materials Project

Nb2S2C crystallizes in the trigonal P-3m1 space group. The structure is two-dimensional and consists of one Nb2S2C sheet oriented in the (0, 0, 1) direction. Nb4+ is bonded to three equivalent C4- and three equivalent S2- atoms to form a mixture of edge and corner-sharing NbC3S3 octahedra. The corner-sharing octahedral tilt angles are 0°. All Nb–C bond lengths are 2.25 Å. All Nb–S bond lengths are 2.51 Å. C4- is bonded to six equivalent Nb4+ atoms to form edge-sharing CNb6 octahedra. S2- is bonded in a 3-coordinate geometry to three equivalent Nb4+ atoms.

36 MATERIALS SCIENCE↗