Materials Data on Nb3Co3C by Materials Project

doi:10.17188/1262609

Title: Materials Data on Nb3Co3C by Materials Project

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Abstract

Nb3Co3C crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nb is bonded in a 2-coordinate geometry to six Co and two equivalent C atoms. There are a spread of Nb–Co bond distances ranging from 2.79–2.83 Å. Both Nb–C bond lengths are 2.18 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to six equivalent Nb and six equivalent Co atoms to form CoNb6Co6 cuboctahedra that share edges with six equivalent CNb6 octahedra and faces with six equivalent CoNb6Co6 cuboctahedra. All Co–Co bond lengths are 2.42 Å. In the second Co site, Co is bonded in a distorted q6 geometry to six equivalent Nb and six Co atoms. All Co–Co bond lengths are 2.48 Å. C is bonded to six equivalent Nb atoms to form CNb6 octahedra that share corners with six equivalent CNb6 octahedra and edges with six equivalent CoNb6Co6 cuboctahedra. The corner-sharing octahedral tilt angles are 46°.

Authors:: The Materials Project

Publication Date:: Fri Jul 24 00:00:00 EDT 2020

Other Number(s):: mp-505601

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; Nb3Co3C; C-Co-Nb

OSTI Identifier:: 1262609

DOI:: https://doi.org/10.17188/1262609

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                    The Materials Project. Materials Data on Nb3Co3C by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1262609.

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                    The Materials Project. Materials Data on Nb3Co3C by Materials Project.  United States.  doi:https://doi.org/10.17188/1262609

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                    The Materials Project. 2020.  
"Materials Data on Nb3Co3C by Materials Project".  United States.  doi:https://doi.org/10.17188/1262609.  https://www.osti.gov/servlets/purl/1262609. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1262609,

  title        = {Materials Data on Nb3Co3C by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Nb3Co3C crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. Nb is bonded in a 2-coordinate geometry to six Co and two equivalent C atoms. There are a spread of Nb–Co bond distances ranging from 2.79–2.83 Å. Both Nb–C bond lengths are 2.18 Å. There are two inequivalent Co sites. In the first Co site, Co is bonded to six equivalent Nb and six equivalent Co atoms to form CoNb6Co6 cuboctahedra that share edges with six equivalent CNb6 octahedra and faces with six equivalent CoNb6Co6 cuboctahedra. All Co–Co bond lengths are 2.42 Å. In the second Co site, Co is bonded in a distorted q6 geometry to six equivalent Nb and six Co atoms. All Co–Co bond lengths are 2.48 Å. C is bonded to six equivalent Nb atoms to form CNb6 octahedra that share corners with six equivalent CNb6 octahedra and edges with six equivalent CoNb6Co6 cuboctahedra. The corner-sharing octahedral tilt angles are 46°.},

  doi          = {10.17188/1262609},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 24 00:00:00 EDT 2020},

  month        = {Fri Jul 24 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1262609

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