Materials Data on CaAl9Co2 by Materials Project

doi:10.17188/1187755

Title: Materials Data on CaAl9Co2 by Materials Project

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Abstract

CaCo2Al9 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ca is bonded to twelve equivalent Al atoms to form face-sharing CaAl12 cuboctahedra. All Ca–Al bond lengths are 3.49 Å. Co is bonded in a 9-coordinate geometry to nine Al atoms. There are three shorter (2.28 Å) and six longer (2.54 Å) Co–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a linear geometry to two equivalent Co atoms. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ca and two equivalent Co atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-16

Other Number(s):: mp-11350

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; CaAl9Co2; Al-Ca-Co

OSTI Identifier:: 1187755

DOI:: https://doi.org/10.17188/1187755

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                    The Materials Project. Materials Data on CaAl9Co2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187755.

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                    The Materials Project. Materials Data on CaAl9Co2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1187755

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                    The Materials Project. 2020.  
"Materials Data on CaAl9Co2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1187755.  https://www.osti.gov/servlets/purl/1187755. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1187755,

  title        = {Materials Data on CaAl9Co2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CaCo2Al9 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Ca is bonded to twelve equivalent Al atoms to form face-sharing CaAl12 cuboctahedra. All Ca–Al bond lengths are 3.49 Å. Co is bonded in a 9-coordinate geometry to nine Al atoms. There are three shorter (2.28 Å) and six longer (2.54 Å) Co–Al bond lengths. There are two inequivalent Al sites. In the first Al site, Al is bonded in a linear geometry to two equivalent Co atoms. In the second Al site, Al is bonded in a 2-coordinate geometry to two equivalent Ca and two equivalent Co atoms.},

  doi          = {10.17188/1187755},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187755

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