Materials Data on CePr3 by Materials Project

doi:10.17188/1679429

Title: Materials Data on CePr3 by Materials Project

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Abstract

Pr3Ce is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to eight Pr and four equivalent Ce atoms to form PrCe4Pr8 cuboctahedra that share corners with twelve equivalent PrCe4Pr8 cuboctahedra, edges with eight equivalent CePr12 cuboctahedra, edges with sixteen PrCe4Pr8 cuboctahedra, faces with four equivalent CePr12 cuboctahedra, and faces with fourteen PrCe4Pr8 cuboctahedra. There are four shorter (3.75 Å) and four longer (3.77 Å) Pr–Pr bond lengths. All Pr–Ce bond lengths are 3.77 Å. In the second Pr site, Pr is bonded to eight equivalent Pr and four equivalent Ce atoms to form PrCe4Pr8 cuboctahedra that share corners with four equivalent PrCe4Pr8 cuboctahedra, corners with eight equivalent CePr12 cuboctahedra, edges with twenty-four PrCe4Pr8 cuboctahedra, faces with six equivalent CePr12 cuboctahedra, and faces with twelve PrCe4Pr8 cuboctahedra. All Pr–Ce bond lengths are 3.75 Å. Ce is bonded to twelve Pr atoms to form CePr12 cuboctahedra that share corners with four equivalent CePr12 cuboctahedra, corners with eight equivalent PrCe4Pr8 cuboctahedra, edges with eight equivalent CePr12 cuboctahedra, edges with sixteen equivalent PrCe4Pr8 cuboctahedra, faces with four equivalent CePr12 cuboctahedra, and faces with fourteenmore » PrCe4Pr8 cuboctahedra.« less

Authors:: The Materials Project

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

Other Number(s):: mp-1183875

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; CePr3; Ce-Pr

OSTI Identifier:: 1679429

DOI:: https://doi.org/10.17188/1679429

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                    The Materials Project. Materials Data on CePr3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1679429.

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                    The Materials Project. Materials Data on CePr3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1679429

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                    The Materials Project. 2020.  
"Materials Data on CePr3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1679429.  https://www.osti.gov/servlets/purl/1679429. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1679429,

  title        = {Materials Data on CePr3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Pr3Ce is Copper-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Pr sites. In the first Pr site, Pr is bonded to eight Pr and four equivalent Ce atoms to form PrCe4Pr8 cuboctahedra that share corners with twelve equivalent PrCe4Pr8 cuboctahedra, edges with eight equivalent CePr12 cuboctahedra, edges with sixteen PrCe4Pr8 cuboctahedra, faces with four equivalent CePr12 cuboctahedra, and faces with fourteen PrCe4Pr8 cuboctahedra. There are four shorter (3.75 Å) and four longer (3.77 Å) Pr–Pr bond lengths. All Pr–Ce bond lengths are 3.77 Å. In the second Pr site, Pr is bonded to eight equivalent Pr and four equivalent Ce atoms to form PrCe4Pr8 cuboctahedra that share corners with four equivalent PrCe4Pr8 cuboctahedra, corners with eight equivalent CePr12 cuboctahedra, edges with twenty-four PrCe4Pr8 cuboctahedra, faces with six equivalent CePr12 cuboctahedra, and faces with twelve PrCe4Pr8 cuboctahedra. All Pr–Ce bond lengths are 3.75 Å. Ce is bonded to twelve Pr atoms to form CePr12 cuboctahedra that share corners with four equivalent CePr12 cuboctahedra, corners with eight equivalent PrCe4Pr8 cuboctahedra, edges with eight equivalent CePr12 cuboctahedra, edges with sixteen equivalent PrCe4Pr8 cuboctahedra, faces with four equivalent CePr12 cuboctahedra, and faces with fourteen PrCe4Pr8 cuboctahedra.},

  doi          = {10.17188/1679429},

  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/10.17188/1679429

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