Materials Data on YEr3 by Materials Project

doi:10.17188/1687401

Title: Materials Data on YEr3 by Materials Project

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Abstract

Er3Y is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to eight Er and four equivalent Y atoms to form ErY4Er8 cuboctahedra that share corners with four equivalent YEr12 cuboctahedra, corners with fourteen ErY4Er8 cuboctahedra, edges with six equivalent YEr12 cuboctahedra, edges with twelve ErY4Er8 cuboctahedra, faces with four equivalent YEr12 cuboctahedra, and faces with sixteen ErY4Er8 cuboctahedra. There are a spread of Er–Er bond distances ranging from 3.48–3.62 Å. There are two shorter (3.50 Å) and two longer (3.60 Å) Er–Y bond lengths. In the second Er site, Er is bonded to eight Er and four equivalent Y atoms to form ErY4Er8 cuboctahedra that share corners with four equivalent YEr12 cuboctahedra, corners with fourteen ErY4Er8 cuboctahedra, edges with six equivalent YEr12 cuboctahedra, edges with twelve ErY4Er8 cuboctahedra, faces with four equivalent YEr12 cuboctahedra, and faces with sixteen ErY4Er8 cuboctahedra. There are one shorter (3.57 Å) and one longer (3.62 Å) Er–Er bond lengths. There are two shorter (3.50 Å) and two longer (3.60 Å) Er–Y bond lengths. Y is bonded to twelve Er atoms to form YEr12 cuboctahedra thatmore »« less

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1187847

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; YEr3; Er-Y

OSTI Identifier:: 1687401

DOI:: https://doi.org/10.17188/1687401

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                    The Materials Project. Materials Data on YEr3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1687401.

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                    The Materials Project. Materials Data on YEr3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1687401

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                    The Materials Project. 2020.  
"Materials Data on YEr3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1687401.  https://www.osti.gov/servlets/purl/1687401. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1687401,

  title        = {Materials Data on YEr3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Er3Y is Magnesium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. there are two inequivalent Er sites. In the first Er site, Er is bonded to eight Er and four equivalent Y atoms to form ErY4Er8 cuboctahedra that share corners with four equivalent YEr12 cuboctahedra, corners with fourteen ErY4Er8 cuboctahedra, edges with six equivalent YEr12 cuboctahedra, edges with twelve ErY4Er8 cuboctahedra, faces with four equivalent YEr12 cuboctahedra, and faces with sixteen ErY4Er8 cuboctahedra. There are a spread of Er–Er bond distances ranging from 3.48–3.62 Å. There are two shorter (3.50 Å) and two longer (3.60 Å) Er–Y bond lengths. In the second Er site, Er is bonded to eight Er and four equivalent Y atoms to form ErY4Er8 cuboctahedra that share corners with four equivalent YEr12 cuboctahedra, corners with fourteen ErY4Er8 cuboctahedra, edges with six equivalent YEr12 cuboctahedra, edges with twelve ErY4Er8 cuboctahedra, faces with four equivalent YEr12 cuboctahedra, and faces with sixteen ErY4Er8 cuboctahedra. There are one shorter (3.57 Å) and one longer (3.62 Å) Er–Er bond lengths. There are two shorter (3.50 Å) and two longer (3.60 Å) Er–Y bond lengths. Y is bonded to twelve Er atoms to form YEr12 cuboctahedra that share corners with six equivalent YEr12 cuboctahedra, corners with twelve ErY4Er8 cuboctahedra, edges with eighteen ErY4Er8 cuboctahedra, faces with eight equivalent YEr12 cuboctahedra, and faces with twelve ErY4Er8 cuboctahedra.},

  doi          = {10.17188/1687401},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1687401

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