Materials Data on CaAlSi by Materials Project

doi:10.17188/1205871

Title: Materials Data on CaAlSi by Materials Project

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Abstract

CaAlSi is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ca is bonded to six equivalent Al and six equivalent Si atoms to form a mixture of edge and face-sharing CaAl6Si6 cuboctahedra. All Ca–Al bond lengths are 3.27 Å. All Ca–Si bond lengths are 3.27 Å. Al is bonded in a distorted trigonal planar geometry to six equivalent Ca and three equivalent Si atoms. All Al–Si bond lengths are 2.43 Å. Si is bonded in a distorted trigonal planar geometry to six equivalent Ca and three equivalent Al atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 18 00:00:00 EDT 2017

Other Number(s):: mp-3173

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; CaAlSi; Al-Ca-Si

OSTI Identifier:: 1205871

DOI:: https://doi.org/10.17188/1205871

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                    The Materials Project. Materials Data on CaAlSi by Materials Project.  United States: N. p., 2017. 
        Web.  doi:10.17188/1205871.

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                    The Materials Project. Materials Data on CaAlSi by Materials Project.  United States.  doi:https://doi.org/10.17188/1205871

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                    The Materials Project. 2017.  
"Materials Data on CaAlSi by Materials Project".  United States.  doi:https://doi.org/10.17188/1205871.  https://www.osti.gov/servlets/purl/1205871. Pub date:Tue Jul 18 00:00:00 EDT 2017

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@article{osti_1205871,

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

  author       = {The Materials Project},

  abstractNote = {CaAlSi is hexagonal omega structure-derived structured and crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. Ca is bonded to six equivalent Al and six equivalent Si atoms to form a mixture of edge and face-sharing CaAl6Si6 cuboctahedra. All Ca–Al bond lengths are 3.27 Å. All Ca–Si bond lengths are 3.27 Å. Al is bonded in a distorted trigonal planar geometry to six equivalent Ca and three equivalent Si atoms. All Al–Si bond lengths are 2.43 Å. Si is bonded in a distorted trigonal planar geometry to six equivalent Ca and three equivalent Al atoms.},

  doi          = {10.17188/1205871},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 18 00:00:00 EDT 2017},

  month        = {Tue Jul 18 00:00:00 EDT 2017}

}

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DOI: https://doi.org/10.17188/1205871

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