Materials Data on CeFeCo by Materials Project

doi:10.17188/1711113

Title: Materials Data on CeFeCo by Materials Project

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Abstract

CeFeCo is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to six equivalent Fe and six equivalent Co atoms. There are two shorter (2.95 Å) and four longer (3.01 Å) Ce–Fe bond lengths. There are four shorter (2.92 Å) and two longer (2.98 Å) Ce–Co bond lengths. Fe is bonded to six equivalent Ce, two equivalent Fe, and four equivalent Co atoms to form FeCe6Fe2Co4 cuboctahedra that share corners with eight equivalent CoCe6Fe4Co2 cuboctahedra, corners with ten equivalent FeCe6Fe2Co4 cuboctahedra, edges with six equivalent FeCe6Fe2Co4 cuboctahedra, faces with six equivalent FeCe6Fe2Co4 cuboctahedra, and faces with twelve equivalent CoCe6Fe4Co2 cuboctahedra. Both Fe–Fe bond lengths are 2.45 Å. All Fe–Co bond lengths are 2.53 Å. Co is bonded to six equivalent Ce, four equivalent Fe, and two equivalent Co atoms to form CoCe6Fe4Co2 cuboctahedra that share corners with eight equivalent FeCe6Fe2Co4 cuboctahedra, corners with ten equivalent CoCe6Fe4Co2 cuboctahedra, edges with six equivalent CoCe6Fe4Co2 cuboctahedra, faces with six equivalent CoCe6Fe4Co2 cuboctahedra, and faces with twelve equivalent FeCe6Fe2Co4 cuboctahedra. Both Co–Co bond lengths are 2.60 Å.

Authors:: The Materials Project

Publication Date:: Fri Jun 05 00:00:00 EDT 2020

Other Number(s):: mp-1226668

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; CeFeCo; Ce-Co-Fe

OSTI Identifier:: 1711113

DOI:: https://doi.org/10.17188/1711113

Citation Formats


                    The Materials Project. Materials Data on CeFeCo by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1711113.

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                    The Materials Project. Materials Data on CeFeCo by Materials Project.  United States.  doi:https://doi.org/10.17188/1711113

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                    The Materials Project. 2020.  
"Materials Data on CeFeCo by Materials Project".  United States.  doi:https://doi.org/10.17188/1711113.  https://www.osti.gov/servlets/purl/1711113. Pub date:Fri Jun 05 00:00:00 EDT 2020

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@article{osti_1711113,

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

  author       = {The Materials Project},

  abstractNote = {CeFeCo is Hexagonal Laves-derived structured and crystallizes in the orthorhombic Imma space group. The structure is three-dimensional. Ce is bonded in a 12-coordinate geometry to six equivalent Fe and six equivalent Co atoms. There are two shorter (2.95 Å) and four longer (3.01 Å) Ce–Fe bond lengths. There are four shorter (2.92 Å) and two longer (2.98 Å) Ce–Co bond lengths. Fe is bonded to six equivalent Ce, two equivalent Fe, and four equivalent Co atoms to form FeCe6Fe2Co4 cuboctahedra that share corners with eight equivalent CoCe6Fe4Co2 cuboctahedra, corners with ten equivalent FeCe6Fe2Co4 cuboctahedra, edges with six equivalent FeCe6Fe2Co4 cuboctahedra, faces with six equivalent FeCe6Fe2Co4 cuboctahedra, and faces with twelve equivalent CoCe6Fe4Co2 cuboctahedra. Both Fe–Fe bond lengths are 2.45 Å. All Fe–Co bond lengths are 2.53 Å. Co is bonded to six equivalent Ce, four equivalent Fe, and two equivalent Co atoms to form CoCe6Fe4Co2 cuboctahedra that share corners with eight equivalent FeCe6Fe2Co4 cuboctahedra, corners with ten equivalent CoCe6Fe4Co2 cuboctahedra, edges with six equivalent CoCe6Fe4Co2 cuboctahedra, faces with six equivalent CoCe6Fe4Co2 cuboctahedra, and faces with twelve equivalent FeCe6Fe2Co4 cuboctahedra. Both Co–Co bond lengths are 2.60 Å.},

  doi          = {10.17188/1711113},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri Jun 05 00:00:00 EDT 2020},

  month        = {Fri Jun 05 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1711113

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