Materials Data on Rb3Er by Materials Project

doi:10.17188/1314610

Title: Materials Data on Rb3Er by Materials Project

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Abstract

Rb3Er is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb is bonded to eight equivalent Rb and four equivalent Er atoms to form distorted RbRb8Er4 cuboctahedra that share corners with four equivalent ErRb12 cuboctahedra, corners with fourteen equivalent RbRb8Er4 cuboctahedra, edges with six equivalent ErRb12 cuboctahedra, edges with twelve equivalent RbRb8Er4 cuboctahedra, faces with four equivalent ErRb12 cuboctahedra, and faces with sixteen equivalent RbRb8Er4 cuboctahedra. There are a spread of Rb–Rb bond distances ranging from 4.36–4.74 Å. There are two shorter (4.47 Å) and two longer (4.55 Å) Rb–Er bond lengths. Er is bonded to twelve equivalent Rb atoms to form ErRb12 cuboctahedra that share corners with six equivalent ErRb12 cuboctahedra, corners with twelve equivalent RbRb8Er4 cuboctahedra, edges with eighteen equivalent RbRb8Er4 cuboctahedra, faces with eight equivalent ErRb12 cuboctahedra, and faces with twelve equivalent RbRb8Er4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-974672

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; Rb3Er; Er-Rb

OSTI Identifier:: 1314610

DOI:: https://doi.org/10.17188/1314610

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                    The Materials Project. Materials Data on Rb3Er by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314610.

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                    The Materials Project. Materials Data on Rb3Er by Materials Project.  United States.  doi:https://doi.org/10.17188/1314610

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                    The Materials Project. 2020.  
"Materials Data on Rb3Er by Materials Project".  United States.  doi:https://doi.org/10.17188/1314610.  https://www.osti.gov/servlets/purl/1314610. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1314610,

  title        = {Materials Data on Rb3Er by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb3Er is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Rb is bonded to eight equivalent Rb and four equivalent Er atoms to form distorted RbRb8Er4 cuboctahedra that share corners with four equivalent ErRb12 cuboctahedra, corners with fourteen equivalent RbRb8Er4 cuboctahedra, edges with six equivalent ErRb12 cuboctahedra, edges with twelve equivalent RbRb8Er4 cuboctahedra, faces with four equivalent ErRb12 cuboctahedra, and faces with sixteen equivalent RbRb8Er4 cuboctahedra. There are a spread of Rb–Rb bond distances ranging from 4.36–4.74 Å. There are two shorter (4.47 Å) and two longer (4.55 Å) Rb–Er bond lengths. Er is bonded to twelve equivalent Rb atoms to form ErRb12 cuboctahedra that share corners with six equivalent ErRb12 cuboctahedra, corners with twelve equivalent RbRb8Er4 cuboctahedra, edges with eighteen equivalent RbRb8Er4 cuboctahedra, faces with eight equivalent ErRb12 cuboctahedra, and faces with twelve equivalent RbRb8Er4 cuboctahedra.},

  doi          = {10.17188/1314610},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1314610

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