Materials Data on CeAlSi by Materials Project

doi:10.17188/1747063

Title: Materials Data on CeAlSi by Materials Project

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Abstract

CeAlSi is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Ce is bonded to six equivalent Al and six equivalent Si atoms to form a mixture of face and edge-sharing CeAl6Si6 cuboctahedra. There are two shorter (3.21 Å) and four longer (3.22 Å) Ce–Al bond lengths. There are four shorter (3.21 Å) and two longer (3.23 Å) Ce–Si bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent Ce and three equivalent Si atoms. There are two shorter (2.43 Å) and one longer (2.44 Å) Al–Si bond lengths. In the second Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent Ce and three equivalent Si atoms. There are two shorter (3.21 Å) and four longer (3.22 Å) Al–Ce bond lengths. There are two shorter (2.43 Å) and one longer (2.44 Å) Al–Si bond lengths. In the third Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent Ce and three equivalent Si atoms. There are two shorter (3.21 Å) and four longer (3.22 Å) Al–Ce bond lengths. Theremore »« less

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1206597

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; CeAlSi; Al-Ce-Si

OSTI Identifier:: 1747063

DOI:: https://doi.org/10.17188/1747063

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                    The Materials Project. Materials Data on CeAlSi by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1747063.

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                    The Materials Project. Materials Data on CeAlSi by Materials Project.  United States.  doi:https://doi.org/10.17188/1747063

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                    The Materials Project. 2020.  
"Materials Data on CeAlSi by Materials Project".  United States.  doi:https://doi.org/10.17188/1747063.  https://www.osti.gov/servlets/purl/1747063. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1747063,

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

  author       = {The Materials Project},

  abstractNote = {CeAlSi is hexagonal omega structure-derived structured and crystallizes in the tetragonal I4_1md space group. The structure is three-dimensional. Ce is bonded to six equivalent Al and six equivalent Si atoms to form a mixture of face and edge-sharing CeAl6Si6 cuboctahedra. There are two shorter (3.21 Å) and four longer (3.22 Å) Ce–Al bond lengths. There are four shorter (3.21 Å) and two longer (3.23 Å) Ce–Si bond lengths. There are three inequivalent Al sites. In the first Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent Ce and three equivalent Si atoms. There are two shorter (2.43 Å) and one longer (2.44 Å) Al–Si bond lengths. In the second Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent Ce and three equivalent Si atoms. There are two shorter (3.21 Å) and four longer (3.22 Å) Al–Ce bond lengths. There are two shorter (2.43 Å) and one longer (2.44 Å) Al–Si bond lengths. In the third Al site, Al is bonded in a distorted trigonal planar geometry to six equivalent Ce and three equivalent Si atoms. There are two shorter (3.21 Å) and four longer (3.22 Å) Al–Ce bond lengths. There are two shorter (2.43 Å) and one longer (2.44 Å) Al–Si bond lengths. Si is bonded in a distorted trigonal planar geometry to six equivalent Ce and three Al atoms.},

  doi          = {10.17188/1747063},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1747063

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