Materials Data on CaC2 by Materials Project

doi:10.17188/1759492

Title: Materials Data on CaC2 by Materials Project

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Abstract

CaC2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ca2+ is bonded in a 10-coordinate geometry to ten C1- atoms. There are a spread of Ca–C bond distances ranging from 2.64–2.67 Å. There are two inequivalent C1- sites. In the first C1- site, C1- is bonded in a 8-coordinate geometry to six equivalent Ca2+ and two equivalent C1- atoms. Both C–C bond lengths are 1.55 Å. In the second C1- site, C1- is bonded in a 3-coordinate geometry to four equivalent Ca2+ and three C1- atoms. The C–C bond length is 1.46 Å.

Authors:: The Materials Project

Publication Date:: Thu Sep 03 00:00:00 EDT 2020

Other Number(s):: mp-1072492

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; CaC2; C-Ca

OSTI Identifier:: 1759492

DOI:: https://doi.org/10.17188/1759492

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                    The Materials Project. Materials Data on CaC2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1759492.

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                    The Materials Project. Materials Data on CaC2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1759492

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                    The Materials Project. 2020.  
"Materials Data on CaC2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1759492.  https://www.osti.gov/servlets/purl/1759492. Pub date:Thu Sep 03 00:00:00 EDT 2020

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@article{osti_1759492,

  title        = {Materials Data on CaC2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaC2 crystallizes in the orthorhombic Immm space group. The structure is three-dimensional. Ca2+ is bonded in a 10-coordinate geometry to ten C1- atoms. There are a spread of Ca–C bond distances ranging from 2.64–2.67 Å. There are two inequivalent C1- sites. In the first C1- site, C1- is bonded in a 8-coordinate geometry to six equivalent Ca2+ and two equivalent C1- atoms. Both C–C bond lengths are 1.55 Å. In the second C1- site, C1- is bonded in a 3-coordinate geometry to four equivalent Ca2+ and three C1- atoms. The C–C bond length is 1.46 Å.},

  doi          = {10.17188/1759492},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Sep 03 00:00:00 EDT 2020},

  month        = {Thu Sep 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1759492

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