Materials Data on Nb2CS2 by Materials Project

doi:10.17188/1276586

Title: Materials Data on Nb2CS2 by Materials Project

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Abstract

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.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-5745

DOE Contract Number:: AC02-05CH11231; EDCBEE

Research Org.:: Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project

Sponsoring Org.:: USDOE Office of Science (SC), Basic Energy Sciences (BES)

Collaborations:: MIT; UC Berkeley; Duke; U Louvain

Subject:: 36 MATERIALS SCIENCE

Keywords:: crystal structure; Nb2CS2; C-Nb-S

OSTI Identifier:: 1276586

DOI:: https://doi.org/10.17188/1276586

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                    The Materials Project. Materials Data on Nb2CS2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276586.

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                    The Materials Project. Materials Data on Nb2CS2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1276586

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                    The Materials Project. 2020.  
"Materials Data on Nb2CS2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1276586.  https://www.osti.gov/servlets/purl/1276586. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1276586,

  title        = {Materials Data on Nb2CS2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {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.},

  doi          = {10.17188/1276586},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1276586

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