Materials Data on Ce3Sm by Materials Project

doi:10.17188/1740624

Title: Materials Data on Ce3Sm by Materials Project

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Abstract

SmCe3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded to twelve Ce atoms to form SmCe12 cuboctahedra that share corners with four equivalent SmCe12 cuboctahedra, corners with eight equivalent CeCe8Sm4 cuboctahedra, edges with eight equivalent SmCe12 cuboctahedra, edges with sixteen equivalent CeCe8Sm4 cuboctahedra, faces with four equivalent SmCe12 cuboctahedra, and faces with fourteen CeCe8Sm4 cuboctahedra. There are four shorter (3.42 Å) and eight longer (3.45 Å) Sm–Ce bond lengths. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Sm and eight Ce atoms to form CeCe8Sm4 cuboctahedra that share corners with twelve equivalent CeCe8Sm4 cuboctahedra, edges with eight equivalent SmCe12 cuboctahedra, edges with sixteen CeCe8Sm4 cuboctahedra, faces with four equivalent SmCe12 cuboctahedra, and faces with fourteen CeCe8Sm4 cuboctahedra. There are four shorter (3.42 Å) and four longer (3.45 Å) Ce–Ce bond lengths. In the second Ce site, Ce is bonded to four equivalent Sm and eight equivalent Ce atoms to form CeCe8Sm4 cuboctahedra that share corners with four equivalent CeCe8Sm4 cuboctahedra, corners with eight equivalent SmCe12 cuboctahedra, edges with twenty-four CeCe8Sm4 cuboctahedra, faces with six equivalent SmCe12 cuboctahedra, and faces withmore » twelve CeCe8Sm4 cuboctahedra.« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1183782

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; Ce3Sm; Ce-Sm

OSTI Identifier:: 1740624

DOI:: https://doi.org/10.17188/1740624

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                    The Materials Project. Materials Data on Ce3Sm by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740624.

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                    The Materials Project. Materials Data on Ce3Sm by Materials Project.  United States.  doi:https://doi.org/10.17188/1740624

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                    The Materials Project. 2020.  
"Materials Data on Ce3Sm by Materials Project".  United States.  doi:https://doi.org/10.17188/1740624.  https://www.osti.gov/servlets/purl/1740624. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1740624,

  title        = {Materials Data on Ce3Sm by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmCe3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded to twelve Ce atoms to form SmCe12 cuboctahedra that share corners with four equivalent SmCe12 cuboctahedra, corners with eight equivalent CeCe8Sm4 cuboctahedra, edges with eight equivalent SmCe12 cuboctahedra, edges with sixteen equivalent CeCe8Sm4 cuboctahedra, faces with four equivalent SmCe12 cuboctahedra, and faces with fourteen CeCe8Sm4 cuboctahedra. There are four shorter (3.42 Å) and eight longer (3.45 Å) Sm–Ce bond lengths. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Sm and eight Ce atoms to form CeCe8Sm4 cuboctahedra that share corners with twelve equivalent CeCe8Sm4 cuboctahedra, edges with eight equivalent SmCe12 cuboctahedra, edges with sixteen CeCe8Sm4 cuboctahedra, faces with four equivalent SmCe12 cuboctahedra, and faces with fourteen CeCe8Sm4 cuboctahedra. There are four shorter (3.42 Å) and four longer (3.45 Å) Ce–Ce bond lengths. In the second Ce site, Ce is bonded to four equivalent Sm and eight equivalent Ce atoms to form CeCe8Sm4 cuboctahedra that share corners with four equivalent CeCe8Sm4 cuboctahedra, corners with eight equivalent SmCe12 cuboctahedra, edges with twenty-four CeCe8Sm4 cuboctahedra, faces with six equivalent SmCe12 cuboctahedra, and faces with twelve CeCe8Sm4 cuboctahedra.},

  doi          = {10.17188/1740624},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1740624

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