Materials Data on PrDy3 by Materials Project

doi:10.17188/1696037

Title: Materials Data on PrDy3 by Materials Project

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Abstract

Dy3Pr is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to eight Dy and four equivalent Pr atoms to form DyPr4Dy8 cuboctahedra that share corners with twelve equivalent DyPr4Dy8 cuboctahedra, edges with eight equivalent PrDy12 cuboctahedra, edges with sixteen DyPr4Dy8 cuboctahedra, faces with four equivalent PrDy12 cuboctahedra, and faces with fourteen DyPr4Dy8 cuboctahedra. There are four shorter (3.58 Å) and four longer (3.60 Å) Dy–Dy bond lengths. All Dy–Pr bond lengths are 3.58 Å. In the second Dy site, Dy is bonded to eight equivalent Dy and four equivalent Pr atoms to form DyPr4Dy8 cuboctahedra that share corners with four equivalent DyPr4Dy8 cuboctahedra, corners with eight equivalent PrDy12 cuboctahedra, edges with twenty-four DyPr4Dy8 cuboctahedra, faces with six equivalent PrDy12 cuboctahedra, and faces with twelve DyPr4Dy8 cuboctahedra. All Dy–Pr bond lengths are 3.60 Å. Pr is bonded to twelve Dy atoms to form PrDy12 cuboctahedra that share corners with four equivalent PrDy12 cuboctahedra, corners with eight equivalent DyPr4Dy8 cuboctahedra, edges with eight equivalent PrDy12 cuboctahedra, edges with sixteen equivalent DyPr4Dy8 cuboctahedra, faces with four equivalent PrDy12 cuboctahedra, and faces withmore » fourteen DyPr4Dy8 cuboctahedra.« less

Authors:: The Materials Project

Publication Date:: 2020-05-03

Other Number(s):: mp-1186520

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; PrDy3; Dy-Pr

OSTI Identifier:: 1696037

DOI:: https://doi.org/10.17188/1696037

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                    The Materials Project. Materials Data on PrDy3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1696037.

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                    The Materials Project. Materials Data on PrDy3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1696037

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                    The Materials Project. 2020.  
"Materials Data on PrDy3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1696037.  https://www.osti.gov/servlets/purl/1696037. Pub date:Sun May 03 00:00:00 EDT 2020

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@article{osti_1696037,

  title        = {Materials Data on PrDy3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Dy3Pr is alpha La-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Dy sites. In the first Dy site, Dy is bonded to eight Dy and four equivalent Pr atoms to form DyPr4Dy8 cuboctahedra that share corners with twelve equivalent DyPr4Dy8 cuboctahedra, edges with eight equivalent PrDy12 cuboctahedra, edges with sixteen DyPr4Dy8 cuboctahedra, faces with four equivalent PrDy12 cuboctahedra, and faces with fourteen DyPr4Dy8 cuboctahedra. There are four shorter (3.58 Å) and four longer (3.60 Å) Dy–Dy bond lengths. All Dy–Pr bond lengths are 3.58 Å. In the second Dy site, Dy is bonded to eight equivalent Dy and four equivalent Pr atoms to form DyPr4Dy8 cuboctahedra that share corners with four equivalent DyPr4Dy8 cuboctahedra, corners with eight equivalent PrDy12 cuboctahedra, edges with twenty-four DyPr4Dy8 cuboctahedra, faces with six equivalent PrDy12 cuboctahedra, and faces with twelve DyPr4Dy8 cuboctahedra. All Dy–Pr bond lengths are 3.60 Å. Pr is bonded to twelve Dy atoms to form PrDy12 cuboctahedra that share corners with four equivalent PrDy12 cuboctahedra, corners with eight equivalent DyPr4Dy8 cuboctahedra, edges with eight equivalent PrDy12 cuboctahedra, edges with sixteen equivalent DyPr4Dy8 cuboctahedra, faces with four equivalent PrDy12 cuboctahedra, and faces with fourteen DyPr4Dy8 cuboctahedra.},

  doi          = {10.17188/1696037},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1696037

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