Materials Data on Nb10C7 by Materials Project

doi:10.17188/1206344

Title: Materials Data on Nb10C7 by Materials Project

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Abstract

Nb10C7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Nb+2.80+ sites. In the first Nb+2.80+ site, Nb+2.80+ is bonded in a rectangular see-saw-like geometry to four C4- atoms. There are a spread of Nb–C bond distances ranging from 2.14–2.26 Å. In the second Nb+2.80+ site, Nb+2.80+ is bonded in a rectangular see-saw-like geometry to four C4- atoms. There are a spread of Nb–C bond distances ranging from 2.22–2.29 Å. In the third Nb+2.80+ site, Nb+2.80+ is bonded to five C4- atoms to form a mixture of edge and corner-sharing NbC5 square pyramids. There are one shorter (2.13 Å) and four longer (2.25 Å) Nb–C bond lengths. There are four inequivalent C4- sites. In the first C4- site, C4- is bonded to six Nb+2.80+ atoms to form a mixture of edge and corner-sharing CNb6 octahedra. The corner-sharing octahedra tilt angles range from 3–7°. In the second C4- site, C4- is bonded to six Nb+2.80+ atoms to form a mixture of edge and corner-sharing CNb6 octahedra. The corner-sharing octahedra tilt angles range from 2–6°. In the third C4- site, C4- is bonded to six Nb+2.80+ atoms to form a mixture of edge and corner-sharing CNb6more »« less

Authors:: The Materials Project

Publication Date:: Thu Apr 30 00:00:00 EDT 2020

Other Number(s):: mp-32679

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; Nb10C7; C-Nb

OSTI Identifier:: 1206344

DOI:: https://doi.org/10.17188/1206344

Citation Formats


                    The Materials Project. Materials Data on Nb10C7 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1206344.

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                    The Materials Project. Materials Data on Nb10C7 by Materials Project.  United States.  doi:https://doi.org/10.17188/1206344

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                    The Materials Project. 2020.  
"Materials Data on Nb10C7 by Materials Project".  United States.  doi:https://doi.org/10.17188/1206344.  https://www.osti.gov/servlets/purl/1206344. Pub date:Thu Apr 30 00:00:00 EDT 2020

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@article{osti_1206344,

  title        = {Materials Data on Nb10C7 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nb10C7 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. there are three inequivalent Nb+2.80+ sites. In the first Nb+2.80+ site, Nb+2.80+ is bonded in a rectangular see-saw-like geometry to four C4- atoms. There are a spread of Nb–C bond distances ranging from 2.14–2.26 Å. In the second Nb+2.80+ site, Nb+2.80+ is bonded in a rectangular see-saw-like geometry to four C4- atoms. There are a spread of Nb–C bond distances ranging from 2.22–2.29 Å. In the third Nb+2.80+ site, Nb+2.80+ is bonded to five C4- atoms to form a mixture of edge and corner-sharing NbC5 square pyramids. There are one shorter (2.13 Å) and four longer (2.25 Å) Nb–C bond lengths. There are four inequivalent C4- sites. In the first C4- site, C4- is bonded to six Nb+2.80+ atoms to form a mixture of edge and corner-sharing CNb6 octahedra. The corner-sharing octahedra tilt angles range from 3–7°. In the second C4- site, C4- is bonded to six Nb+2.80+ atoms to form a mixture of edge and corner-sharing CNb6 octahedra. The corner-sharing octahedra tilt angles range from 2–6°. In the third C4- site, C4- is bonded to six Nb+2.80+ atoms to form a mixture of edge and corner-sharing CNb6 octahedra. The corner-sharing octahedra tilt angles range from 2–7°. In the fourth C4- site, C4- is bonded to six Nb+2.80+ atoms to form a mixture of edge and corner-sharing CNb6 octahedra. The corner-sharing octahedral tilt angles are 3°.},

  doi          = {10.17188/1206344},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Apr 30 00:00:00 EDT 2020},

  month        = {Thu Apr 30 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1206344

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