Materials Data on Pr3Sm by Materials Project

doi:10.17188/1698943

Title: Materials Data on Pr3Sm by Materials Project

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Abstract

SmPr3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded to twelve Pr atoms to form SmPr12 cuboctahedra that share corners with four equivalent SmPr12 cuboctahedra, corners with eight equivalent PrPr8Sm4 cuboctahedra, edges with eight equivalent SmPr12 cuboctahedra, edges with sixteen equivalent PrPr8Sm4 cuboctahedra, faces with four equivalent SmPr12 cuboctahedra, and faces with fourteen PrPr8Sm4 cuboctahedra. There are four shorter (3.69 Å) and eight longer (3.70 Å) Sm–Pr bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four equivalent Sm and eight Pr atoms to form PrPr8Sm4 cuboctahedra that share corners with twelve equivalent PrPr8Sm4 cuboctahedra, edges with eight equivalent SmPr12 cuboctahedra, edges with sixteen PrPr8Sm4 cuboctahedra, faces with four equivalent SmPr12 cuboctahedra, and faces with fourteen PrPr8Sm4 cuboctahedra. There are four shorter (3.69 Å) and four longer (3.70 Å) Pr–Pr bond lengths. In the second Pr site, Pr is bonded to four equivalent Sm and eight equivalent Pr atoms to form PrPr8Sm4 cuboctahedra that share corners with four equivalent PrPr8Sm4 cuboctahedra, corners with eight equivalent SmPr12 cuboctahedra, edges with twenty-four PrPr8Sm4 cuboctahedra, faces with six equivalent SmPr12 cuboctahedra, and faces withmore » twelve PrPr8Sm4 cuboctahedra.« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1186726

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; Pr3Sm; Pr-Sm

OSTI Identifier:: 1698943

DOI:: https://doi.org/10.17188/1698943

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                    The Materials Project. Materials Data on Pr3Sm by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1698943.

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                    The Materials Project. Materials Data on Pr3Sm by Materials Project.  United States.  doi:https://doi.org/10.17188/1698943

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                    The Materials Project. 2020.  
"Materials Data on Pr3Sm by Materials Project".  United States.  doi:https://doi.org/10.17188/1698943.  https://www.osti.gov/servlets/purl/1698943. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1698943,

  title        = {Materials Data on Pr3Sm by Materials Project},

  author       = {The Materials Project},

  abstractNote = {SmPr3 is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. Sm is bonded to twelve Pr atoms to form SmPr12 cuboctahedra that share corners with four equivalent SmPr12 cuboctahedra, corners with eight equivalent PrPr8Sm4 cuboctahedra, edges with eight equivalent SmPr12 cuboctahedra, edges with sixteen equivalent PrPr8Sm4 cuboctahedra, faces with four equivalent SmPr12 cuboctahedra, and faces with fourteen PrPr8Sm4 cuboctahedra. There are four shorter (3.69 Å) and eight longer (3.70 Å) Sm–Pr bond lengths. There are two inequivalent Pr sites. In the first Pr site, Pr is bonded to four equivalent Sm and eight Pr atoms to form PrPr8Sm4 cuboctahedra that share corners with twelve equivalent PrPr8Sm4 cuboctahedra, edges with eight equivalent SmPr12 cuboctahedra, edges with sixteen PrPr8Sm4 cuboctahedra, faces with four equivalent SmPr12 cuboctahedra, and faces with fourteen PrPr8Sm4 cuboctahedra. There are four shorter (3.69 Å) and four longer (3.70 Å) Pr–Pr bond lengths. In the second Pr site, Pr is bonded to four equivalent Sm and eight equivalent Pr atoms to form PrPr8Sm4 cuboctahedra that share corners with four equivalent PrPr8Sm4 cuboctahedra, corners with eight equivalent SmPr12 cuboctahedra, edges with twenty-four PrPr8Sm4 cuboctahedra, faces with six equivalent SmPr12 cuboctahedra, and faces with twelve PrPr8Sm4 cuboctahedra.},

  doi          = {10.17188/1698943},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1698943

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