Materials Data on BaCe by Materials Project

doi:10.17188/1316658

Title: Materials Data on BaCe by Materials Project

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Abstract

BaCe1 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ba is bonded to six equivalent Ba and six equivalent Ce atoms to form BaBa6Ce6 cuboctahedra that share corners with eighteen equivalent BaBa6Ce6 cuboctahedra, edges with six equivalent BaBa6Ce6 cuboctahedra, edges with twelve equivalent CeBa6Ce6 cuboctahedra, faces with eight equivalent BaBa6Ce6 cuboctahedra, and faces with twelve equivalent CeBa6Ce6 cuboctahedra. There are two shorter (3.91 Å) and four longer (3.93 Å) Ba–Ba bond lengths. All Ba–Ce bond lengths are 4.01 Å. Ce is bonded to six equivalent Ba and six equivalent Ce atoms to form CeBa6Ce6 cuboctahedra that share corners with eighteen equivalent CeBa6Ce6 cuboctahedra, edges with six equivalent CeBa6Ce6 cuboctahedra, edges with twelve equivalent BaBa6Ce6 cuboctahedra, faces with eight equivalent CeBa6Ce6 cuboctahedra, and faces with twelve equivalent BaBa6Ce6 cuboctahedra. There are two shorter (3.91 Å) and four longer (3.93 Å) Ce–Ce bond lengths.

Authors:: The Materials Project

Publication Date:: Fri Jul 24 00:00:00 EDT 2020

Other Number(s):: mp-985290

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; BaCe; Ba-Ce

OSTI Identifier:: 1316658

DOI:: https://doi.org/10.17188/1316658

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                    The Materials Project. Materials Data on BaCe by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316658.

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                    The Materials Project. Materials Data on BaCe by Materials Project.  United States.  doi:https://doi.org/10.17188/1316658

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                    The Materials Project. 2020.  
"Materials Data on BaCe by Materials Project".  United States.  doi:https://doi.org/10.17188/1316658.  https://www.osti.gov/servlets/purl/1316658. Pub date:Fri Jul 24 00:00:00 EDT 2020

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@article{osti_1316658,

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

  author       = {The Materials Project},

  abstractNote = {BaCe1 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. Ba is bonded to six equivalent Ba and six equivalent Ce atoms to form BaBa6Ce6 cuboctahedra that share corners with eighteen equivalent BaBa6Ce6 cuboctahedra, edges with six equivalent BaBa6Ce6 cuboctahedra, edges with twelve equivalent CeBa6Ce6 cuboctahedra, faces with eight equivalent BaBa6Ce6 cuboctahedra, and faces with twelve equivalent CeBa6Ce6 cuboctahedra. There are two shorter (3.91 Å) and four longer (3.93 Å) Ba–Ba bond lengths. All Ba–Ce bond lengths are 4.01 Å. Ce is bonded to six equivalent Ba and six equivalent Ce atoms to form CeBa6Ce6 cuboctahedra that share corners with eighteen equivalent CeBa6Ce6 cuboctahedra, edges with six equivalent CeBa6Ce6 cuboctahedra, edges with twelve equivalent BaBa6Ce6 cuboctahedra, faces with eight equivalent CeBa6Ce6 cuboctahedra, and faces with twelve equivalent BaBa6Ce6 cuboctahedra. There are two shorter (3.91 Å) and four longer (3.93 Å) Ce–Ce bond lengths.},

  doi          = {10.17188/1316658},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jul 24 00:00:00 EDT 2020},

  month        = {Fri Jul 24 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1316658

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