Materials Data on HC2 by Materials Project

doi:10.17188/1317014

Title: Materials Data on HC2 by Materials Project

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Abstract

C2H crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two C2H ribbons oriented in the (0, 1, 0) direction. there are two inequivalent C+0.50- sites. In the first C+0.50- site, C+0.50- is bonded in a trigonal planar geometry to three C+0.50- atoms. There is two shorter (1.41 Å) and one longer (1.47 Å) C–C bond length. In the second C+0.50- site, C+0.50- is bonded in a distorted single-bond geometry to two equivalent C+0.50- and one H1+ atom. The C–H bond length is 1.09 Å. H1+ is bonded in a single-bond geometry to one C+0.50- atom.

Authors:: The Materials Project

Publication Date:: Thu Jul 23 00:00:00 EDT 2020

Other Number(s):: mp-995184

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; HC2; C-H

OSTI Identifier:: 1317014

DOI:: https://doi.org/10.17188/1317014

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                    The Materials Project. Materials Data on HC2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317014.

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                    The Materials Project. Materials Data on HC2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1317014

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                    The Materials Project. 2020.  
"Materials Data on HC2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1317014.  https://www.osti.gov/servlets/purl/1317014. Pub date:Thu Jul 23 00:00:00 EDT 2020

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@article{osti_1317014,

  title        = {Materials Data on HC2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {C2H crystallizes in the monoclinic C2/m space group. The structure is one-dimensional and consists of two C2H ribbons oriented in the (0, 1, 0) direction. there are two inequivalent C+0.50- sites. In the first C+0.50- site, C+0.50- is bonded in a trigonal planar geometry to three C+0.50- atoms. There is two shorter (1.41 Å) and one longer (1.47 Å) C–C bond length. In the second C+0.50- site, C+0.50- is bonded in a distorted single-bond geometry to two equivalent C+0.50- and one H1+ atom. The C–H bond length is 1.09 Å. H1+ is bonded in a single-bond geometry to one C+0.50- atom.},

  doi          = {10.17188/1317014},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 23 00:00:00 EDT 2020},

  month        = {Thu Jul 23 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1317014

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