Materials Data on Cr23C6 by Materials Project

doi:10.17188/1287577

Title: Materials Data on Cr23C6 by Materials Project

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Abstract

Cr23C6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are four inequivalent Cr sites. In the first Cr site, Cr is bonded in a cuboctahedral geometry to twelve equivalent Cr atoms. All Cr–Cr bond lengths are 2.53 Å. In the second Cr site, Cr is bonded in a distorted tetrahedral geometry to four equivalent Cr atoms. All Cr–Cr bond lengths are 2.40 Å. In the third Cr site, Cr is bonded in a distorted trigonal non-coplanar geometry to one Cr and three equivalent C atoms. All Cr–C bond lengths are 2.09 Å. In the fourth Cr site, Cr is bonded in a bent 150 degrees geometry to one Cr and two equivalent C atoms. Both Cr–C bond lengths are 2.12 Å. C is bonded in a 8-coordinate geometry to eight Cr atoms.

Authors:: The Materials Project

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

Other Number(s):: mp-723

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; Cr23C6; C-Cr

OSTI Identifier:: 1287577

DOI:: https://doi.org/10.17188/1287577

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                    The Materials Project. Materials Data on Cr23C6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1287577.

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                    The Materials Project. Materials Data on Cr23C6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1287577

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                    The Materials Project. 2020.  
"Materials Data on Cr23C6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1287577.  https://www.osti.gov/servlets/purl/1287577. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1287577,

  title        = {Materials Data on Cr23C6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cr23C6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are four inequivalent Cr sites. In the first Cr site, Cr is bonded in a cuboctahedral geometry to twelve equivalent Cr atoms. All Cr–Cr bond lengths are 2.53 Å. In the second Cr site, Cr is bonded in a distorted tetrahedral geometry to four equivalent Cr atoms. All Cr–Cr bond lengths are 2.40 Å. In the third Cr site, Cr is bonded in a distorted trigonal non-coplanar geometry to one Cr and three equivalent C atoms. All Cr–C bond lengths are 2.09 Å. In the fourth Cr site, Cr is bonded in a bent 150 degrees geometry to one Cr and two equivalent C atoms. Both Cr–C bond lengths are 2.12 Å. C is bonded in a 8-coordinate geometry to eight Cr atoms.},

  doi          = {10.17188/1287577},

  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/10.17188/1287577

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