Materials Data on Ce3Mg by Materials Project

doi:10.17188/1736463

Title: Materials Data on Ce3Mg by Materials Project

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Abstract

MgCe3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to twelve Ce atoms to form MgCe12 cuboctahedra that share corners with four equivalent MgCe12 cuboctahedra, corners with eight equivalent CeCe8Mg4 cuboctahedra, edges with eight equivalent MgCe12 cuboctahedra, edges with sixteen equivalent CeCe8Mg4 cuboctahedra, faces with four equivalent MgCe12 cuboctahedra, and faces with fourteen CeCe8Mg4 cuboctahedra. There are four shorter (3.36 Å) and eight longer (3.40 Å) Mg–Ce bond lengths. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Mg and eight equivalent Ce atoms to form CeCe8Mg4 cuboctahedra that share corners with four equivalent CeCe8Mg4 cuboctahedra, corners with eight equivalent MgCe12 cuboctahedra, edges with twenty-four CeCe8Mg4 cuboctahedra, faces with six equivalent MgCe12 cuboctahedra, and faces with twelve CeCe8Mg4 cuboctahedra. All Ce–Ce bond lengths are 3.40 Å. In the second Ce site, Ce is bonded to four equivalent Mg and eight Ce atoms to form CeCe8Mg4 cuboctahedra that share corners with twelve equivalent CeCe8Mg4 cuboctahedra, edges with eight equivalent MgCe12 cuboctahedra, edges with sixteen CeCe8Mg4 cuboctahedra, faces with four equivalent MgCe12 cuboctahedra, and faces with fourteen CeCe8Mg4 cuboctahedra. All Ce–Ce bond lengthsmore » are 3.36 Å.« less

Authors:: The Materials Project

Publication Date:: Sun May 03 00:00:00 EDT 2020

Other Number(s):: mp-1038790

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; Ce3Mg; Ce-Mg

OSTI Identifier:: 1736463

DOI:: https://doi.org/10.17188/1736463

Citation Formats


                    The Materials Project. Materials Data on Ce3Mg by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1736463.

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                    The Materials Project. Materials Data on Ce3Mg by Materials Project.  United States.  doi:https://doi.org/10.17188/1736463

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                    The Materials Project. 2020.  
"Materials Data on Ce3Mg by Materials Project".  United States.  doi:https://doi.org/10.17188/1736463.  https://www.osti.gov/servlets/purl/1736463. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1736463,

  title        = {Materials Data on Ce3Mg by Materials Project},

  author       = {The Materials Project},

  abstractNote = {MgCe3 is beta Cu3Ti-like structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Mg is bonded to twelve Ce atoms to form MgCe12 cuboctahedra that share corners with four equivalent MgCe12 cuboctahedra, corners with eight equivalent CeCe8Mg4 cuboctahedra, edges with eight equivalent MgCe12 cuboctahedra, edges with sixteen equivalent CeCe8Mg4 cuboctahedra, faces with four equivalent MgCe12 cuboctahedra, and faces with fourteen CeCe8Mg4 cuboctahedra. There are four shorter (3.36 Å) and eight longer (3.40 Å) Mg–Ce bond lengths. There are two inequivalent Ce sites. In the first Ce site, Ce is bonded to four equivalent Mg and eight equivalent Ce atoms to form CeCe8Mg4 cuboctahedra that share corners with four equivalent CeCe8Mg4 cuboctahedra, corners with eight equivalent MgCe12 cuboctahedra, edges with twenty-four CeCe8Mg4 cuboctahedra, faces with six equivalent MgCe12 cuboctahedra, and faces with twelve CeCe8Mg4 cuboctahedra. All Ce–Ce bond lengths are 3.40 Å. In the second Ce site, Ce is bonded to four equivalent Mg and eight Ce atoms to form CeCe8Mg4 cuboctahedra that share corners with twelve equivalent CeCe8Mg4 cuboctahedra, edges with eight equivalent MgCe12 cuboctahedra, edges with sixteen CeCe8Mg4 cuboctahedra, faces with four equivalent MgCe12 cuboctahedra, and faces with fourteen CeCe8Mg4 cuboctahedra. All Ce–Ce bond lengths are 3.36 Å.},

  doi          = {10.17188/1736463},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sun May 03 00:00:00 EDT 2020},

  month        = {Sun May 03 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1736463

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Materials Data on Ce3Mg by Materials Project

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