Materials Data on Dy3Zr by Materials Project

doi:10.17188/1741824

Title: Materials Data on Dy3Zr by Materials Project

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Abstract

Dy3Zr is beta Cu3Ti-like 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 Zr atoms to form DyDy8Zr4 cuboctahedra that share corners with twelve equivalent DyDy8Zr4 cuboctahedra, edges with eight equivalent ZrDy12 cuboctahedra, edges with sixteen DyDy8Zr4 cuboctahedra, faces with four equivalent ZrDy12 cuboctahedra, and faces with fourteen DyDy8Zr4 cuboctahedra. There are four shorter (3.44 Å) and four longer (3.45 Å) Dy–Dy bond lengths. All Dy–Zr bond lengths are 3.44 Å. In the second Dy site, Dy is bonded to eight equivalent Dy and four equivalent Zr atoms to form DyDy8Zr4 cuboctahedra that share corners with four equivalent DyDy8Zr4 cuboctahedra, corners with eight equivalent ZrDy12 cuboctahedra, edges with twenty-four DyDy8Zr4 cuboctahedra, faces with six equivalent ZrDy12 cuboctahedra, and faces with twelve DyDy8Zr4 cuboctahedra. All Dy–Zr bond lengths are 3.45 Å. Zr is bonded to twelve Dy atoms to form ZrDy12 cuboctahedra that share corners with four equivalent ZrDy12 cuboctahedra, corners with eight equivalent DyDy8Zr4 cuboctahedra, edges with eight equivalent ZrDy12 cuboctahedra, edges with sixteen equivalent DyDy8Zr4 cuboctahedra, faces with four equivalent ZrDy12 cuboctahedra, and faces withmore » fourteen DyDy8Zr4 cuboctahedra.« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1183825

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; Dy3Zr; Dy-Zr

OSTI Identifier:: 1741824

DOI:: https://doi.org/10.17188/1741824

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                    The Materials Project. Materials Data on Dy3Zr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1741824.

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                    The Materials Project. Materials Data on Dy3Zr by Materials Project.  United States.  doi:https://doi.org/10.17188/1741824

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                    The Materials Project. 2020.  
"Materials Data on Dy3Zr by Materials Project".  United States.  doi:https://doi.org/10.17188/1741824.  https://www.osti.gov/servlets/purl/1741824. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1741824,

  title        = {Materials Data on Dy3Zr by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Dy3Zr is beta Cu3Ti-like 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 Zr atoms to form DyDy8Zr4 cuboctahedra that share corners with twelve equivalent DyDy8Zr4 cuboctahedra, edges with eight equivalent ZrDy12 cuboctahedra, edges with sixteen DyDy8Zr4 cuboctahedra, faces with four equivalent ZrDy12 cuboctahedra, and faces with fourteen DyDy8Zr4 cuboctahedra. There are four shorter (3.44 Å) and four longer (3.45 Å) Dy–Dy bond lengths. All Dy–Zr bond lengths are 3.44 Å. In the second Dy site, Dy is bonded to eight equivalent Dy and four equivalent Zr atoms to form DyDy8Zr4 cuboctahedra that share corners with four equivalent DyDy8Zr4 cuboctahedra, corners with eight equivalent ZrDy12 cuboctahedra, edges with twenty-four DyDy8Zr4 cuboctahedra, faces with six equivalent ZrDy12 cuboctahedra, and faces with twelve DyDy8Zr4 cuboctahedra. All Dy–Zr bond lengths are 3.45 Å. Zr is bonded to twelve Dy atoms to form ZrDy12 cuboctahedra that share corners with four equivalent ZrDy12 cuboctahedra, corners with eight equivalent DyDy8Zr4 cuboctahedra, edges with eight equivalent ZrDy12 cuboctahedra, edges with sixteen equivalent DyDy8Zr4 cuboctahedra, faces with four equivalent ZrDy12 cuboctahedra, and faces with fourteen DyDy8Zr4 cuboctahedra.},

  doi          = {10.17188/1741824},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1741824

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