Materials Data on Ce(As3Ru)4 by Materials Project

doi:10.17188/1351411

Title: Materials Data on Ce(As3Ru)4 by Materials Project

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Abstract

CeRu4As12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ce3+ is bonded to twelve equivalent As+1.67- atoms to form CeAs12 cuboctahedra that share faces with eight equivalent RuAs6 octahedra. All Ce–As bond lengths are 3.25 Å. Ru+4.25+ is bonded to six equivalent As+1.67- atoms to form RuAs6 octahedra that share corners with six equivalent RuAs6 octahedra and faces with two equivalent CeAs12 cuboctahedra. The corner-sharing octahedral tilt angles are 58°. All Ru–As bond lengths are 2.46 Å. As+1.67- is bonded in a 5-coordinate geometry to one Ce3+, two equivalent Ru+4.25+, and two equivalent As+1.67- atoms. There are one shorter (2.58 Å) and one longer (2.63 Å) As–As bond lengths.

Authors:: The Materials Project

Publication Date:: Sat Jul 18 00:00:00 EDT 2020

Other Number(s):: mp-1021508

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; Ce(As3Ru)4; As-Ce-Ru

OSTI Identifier:: 1351411

DOI:: https://doi.org/10.17188/1351411

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                    The Materials Project. Materials Data on Ce(As3Ru)4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1351411.

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                    The Materials Project. Materials Data on Ce(As3Ru)4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1351411

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                    The Materials Project. 2020.  
"Materials Data on Ce(As3Ru)4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1351411.  https://www.osti.gov/servlets/purl/1351411. Pub date:Sat Jul 18 00:00:00 EDT 2020

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@article{osti_1351411,

  title        = {Materials Data on Ce(As3Ru)4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CeRu4As12 crystallizes in the cubic Im-3 space group. The structure is three-dimensional. Ce3+ is bonded to twelve equivalent As+1.67- atoms to form CeAs12 cuboctahedra that share faces with eight equivalent RuAs6 octahedra. All Ce–As bond lengths are 3.25 Å. Ru+4.25+ is bonded to six equivalent As+1.67- atoms to form RuAs6 octahedra that share corners with six equivalent RuAs6 octahedra and faces with two equivalent CeAs12 cuboctahedra. The corner-sharing octahedral tilt angles are 58°. All Ru–As bond lengths are 2.46 Å. As+1.67- is bonded in a 5-coordinate geometry to one Ce3+, two equivalent Ru+4.25+, and two equivalent As+1.67- atoms. There are one shorter (2.58 Å) and one longer (2.63 Å) As–As bond lengths.},

  doi          = {10.17188/1351411},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat Jul 18 00:00:00 EDT 2020},

  month        = {Sat Jul 18 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1351411

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