Materials Data on NdDy3 by Materials Project

doi:10.17188/1314454

Title: Materials Data on NdDy3 by Materials Project

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Abstract

Dy3Nd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded to eight Dy and four equivalent Nd atoms to form DyNd4Dy8 cuboctahedra that share corners with four equivalent NdDy12 cuboctahedra, corners with fourteen DyNd4Dy8 cuboctahedra, edges with six equivalent NdDy12 cuboctahedra, edges with twelve DyNd4Dy8 cuboctahedra, faces with four equivalent NdDy12 cuboctahedra, and faces with sixteen DyNd4Dy8 cuboctahedra. There are a spread of Dy–Dy bond distances ranging from 3.55–3.67 Å. There are two shorter (3.57 Å) and two longer (3.64 Å) Dy–Nd bond lengths. In the second Dy site, Dy is bonded to eight Dy and four equivalent Nd atoms to form DyNd4Dy8 cuboctahedra that share corners with four equivalent NdDy12 cuboctahedra, corners with fourteen DyNd4Dy8 cuboctahedra, edges with six equivalent NdDy12 cuboctahedra, edges with twelve DyNd4Dy8 cuboctahedra, faces with four equivalent NdDy12 cuboctahedra, and faces with sixteen DyNd4Dy8 cuboctahedra. There are a spread of Dy–Dy bond distances ranging from 3.55–3.67 Å. There are two shorter (3.57 Å) and two longer (3.64 Å) Dy–Nd bond lengths. In the third Dy site, Dy is bonded to eight Dy and fourmore »« less

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-974325

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; NdDy3; Dy-Nd

OSTI Identifier:: 1314454

DOI:: https://doi.org/10.17188/1314454

Citation Formats


                    The Materials Project. Materials Data on NdDy3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314454.

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                    The Materials Project. Materials Data on NdDy3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1314454

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                    The Materials Project. 2020.  
"Materials Data on NdDy3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1314454.  https://www.osti.gov/servlets/purl/1314454. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1314454,

  title        = {Materials Data on NdDy3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Dy3Nd is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are three inequivalent Dy sites. In the first Dy site, Dy is bonded to eight Dy and four equivalent Nd atoms to form DyNd4Dy8 cuboctahedra that share corners with four equivalent NdDy12 cuboctahedra, corners with fourteen DyNd4Dy8 cuboctahedra, edges with six equivalent NdDy12 cuboctahedra, edges with twelve DyNd4Dy8 cuboctahedra, faces with four equivalent NdDy12 cuboctahedra, and faces with sixteen DyNd4Dy8 cuboctahedra. There are a spread of Dy–Dy bond distances ranging from 3.55–3.67 Å. There are two shorter (3.57 Å) and two longer (3.64 Å) Dy–Nd bond lengths. In the second Dy site, Dy is bonded to eight Dy and four equivalent Nd atoms to form DyNd4Dy8 cuboctahedra that share corners with four equivalent NdDy12 cuboctahedra, corners with fourteen DyNd4Dy8 cuboctahedra, edges with six equivalent NdDy12 cuboctahedra, edges with twelve DyNd4Dy8 cuboctahedra, faces with four equivalent NdDy12 cuboctahedra, and faces with sixteen DyNd4Dy8 cuboctahedra. There are a spread of Dy–Dy bond distances ranging from 3.55–3.67 Å. There are two shorter (3.57 Å) and two longer (3.64 Å) Dy–Nd bond lengths. In the third Dy site, Dy is bonded to eight Dy and four equivalent Nd atoms to form DyNd4Dy8 cuboctahedra that share corners with four equivalent NdDy12 cuboctahedra, corners with fourteen DyNd4Dy8 cuboctahedra, edges with six equivalent NdDy12 cuboctahedra, edges with twelve DyNd4Dy8 cuboctahedra, faces with four equivalent NdDy12 cuboctahedra, and faces with sixteen DyNd4Dy8 cuboctahedra. There are two shorter (3.57 Å) and two longer (3.64 Å) Dy–Nd bond lengths. Nd is bonded to twelve Dy atoms to form NdDy12 cuboctahedra that share corners with six equivalent NdDy12 cuboctahedra, corners with twelve DyNd4Dy8 cuboctahedra, edges with eighteen DyNd4Dy8 cuboctahedra, faces with eight equivalent NdDy12 cuboctahedra, and faces with twelve DyNd4Dy8 cuboctahedra.},

  doi          = {10.17188/1314454},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1314454

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