Materials Data on NaC2 by Materials Project

doi:10.17188/1676736

Title: Materials Data on NaC2 by Materials Project

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Abstract

NaC2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Na1+ is bonded to eight equivalent C+0.50- atoms to form NaC8 hexagonal bipyramids that share corners with eight equivalent CNa4C square pyramids and edges with twelve equivalent NaC8 hexagonal bipyramids. There are four shorter (2.68 Å) and four longer (2.74 Å) Na–C bond lengths. C+0.50- is bonded to four equivalent Na1+ and one C+0.50- atom to form distorted CNa4C square pyramids that share corners with four equivalent NaC8 hexagonal bipyramids, corners with sixteen equivalent CNa4C square pyramids, and edges with six equivalent CNa4C square pyramids. The C–C bond length is 1.26 Å.

Authors:: The Materials Project

Publication Date:: 2019-01-12

Other Number(s):: mp-1210106

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; NaC2; C-Na

OSTI Identifier:: 1676736

DOI:: https://doi.org/10.17188/1676736

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                    The Materials Project. Materials Data on NaC2 by Materials Project.  United States: N. p., 2019. 
        Web.  doi:10.17188/1676736.

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                    The Materials Project. Materials Data on NaC2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1676736

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                    The Materials Project. 2019.  
"Materials Data on NaC2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1676736.  https://www.osti.gov/servlets/purl/1676736. Pub date:Sat Jan 12 00:00:00 EST 2019

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@article{osti_1676736,

  title        = {Materials Data on NaC2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {NaC2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Na1+ is bonded to eight equivalent C+0.50- atoms to form NaC8 hexagonal bipyramids that share corners with eight equivalent CNa4C square pyramids and edges with twelve equivalent NaC8 hexagonal bipyramids. There are four shorter (2.68 Å) and four longer (2.74 Å) Na–C bond lengths. C+0.50- is bonded to four equivalent Na1+ and one C+0.50- atom to form distorted CNa4C square pyramids that share corners with four equivalent NaC8 hexagonal bipyramids, corners with sixteen equivalent CNa4C square pyramids, and edges with six equivalent CNa4C square pyramids. The C–C bond length is 1.26 Å.},

  doi          = {10.17188/1676736},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2019},

  month        = {1}

}

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DOI: https://doi.org/10.17188/1676736

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