Materials Data on CePm3 by Materials Project

doi:10.17188/1741804

Title: Materials Data on CePm3 by Materials Project

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Abstract

Pm3Ce is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pm sites. In the first Pm site, Pm is bonded to eight Pm and four equivalent Ce atoms to form PmCe4Pm8 cuboctahedra that share corners with twelve equivalent PmCe4Pm8 cuboctahedra, edges with eight equivalent CePm12 cuboctahedra, edges with sixteen PmCe4Pm8 cuboctahedra, faces with four equivalent CePm12 cuboctahedra, and faces with fourteen PmCe4Pm8 cuboctahedra. There are four shorter (3.64 Å) and four longer (3.66 Å) Pm–Pm bond lengths. All Pm–Ce bond lengths are 3.66 Å. In the second Pm site, Pm is bonded to eight equivalent Pm and four equivalent Ce atoms to form PmCe4Pm8 cuboctahedra that share corners with four equivalent PmCe4Pm8 cuboctahedra, corners with eight equivalent CePm12 cuboctahedra, edges with twenty-four PmCe4Pm8 cuboctahedra, faces with six equivalent CePm12 cuboctahedra, and faces with twelve PmCe4Pm8 cuboctahedra. All Pm–Ce bond lengths are 3.64 Å. Ce is bonded to twelve Pm atoms to form CePm12 cuboctahedra that share corners with four equivalent CePm12 cuboctahedra, corners with eight equivalent PmCe4Pm8 cuboctahedra, edges with eight equivalent CePm12 cuboctahedra, edges with sixteen equivalent PmCe4Pm8 cuboctahedra, faces with four equivalent CePm12 cuboctahedra, and faces with fourteenmore » PmCe4Pm8 cuboctahedra.« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1183854

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; CePm3; Ce-Pm

OSTI Identifier:: 1741804

DOI:: https://doi.org/10.17188/1741804

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                    The Materials Project. Materials Data on CePm3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1741804.

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                    The Materials Project. Materials Data on CePm3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1741804

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                    The Materials Project. 2020.  
"Materials Data on CePm3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1741804.  https://www.osti.gov/servlets/purl/1741804. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1741804,

  title        = {Materials Data on CePm3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pm3Ce is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pm sites. In the first Pm site, Pm is bonded to eight Pm and four equivalent Ce atoms to form PmCe4Pm8 cuboctahedra that share corners with twelve equivalent PmCe4Pm8 cuboctahedra, edges with eight equivalent CePm12 cuboctahedra, edges with sixteen PmCe4Pm8 cuboctahedra, faces with four equivalent CePm12 cuboctahedra, and faces with fourteen PmCe4Pm8 cuboctahedra. There are four shorter (3.64 Å) and four longer (3.66 Å) Pm–Pm bond lengths. All Pm–Ce bond lengths are 3.66 Å. In the second Pm site, Pm is bonded to eight equivalent Pm and four equivalent Ce atoms to form PmCe4Pm8 cuboctahedra that share corners with four equivalent PmCe4Pm8 cuboctahedra, corners with eight equivalent CePm12 cuboctahedra, edges with twenty-four PmCe4Pm8 cuboctahedra, faces with six equivalent CePm12 cuboctahedra, and faces with twelve PmCe4Pm8 cuboctahedra. All Pm–Ce bond lengths are 3.64 Å. Ce is bonded to twelve Pm atoms to form CePm12 cuboctahedra that share corners with four equivalent CePm12 cuboctahedra, corners with eight equivalent PmCe4Pm8 cuboctahedra, edges with eight equivalent CePm12 cuboctahedra, edges with sixteen equivalent PmCe4Pm8 cuboctahedra, faces with four equivalent CePm12 cuboctahedra, and faces with fourteen PmCe4Pm8 cuboctahedra.},

  doi          = {10.17188/1741804},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1741804

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