Materials Data on Rb3Pr by Materials Project

doi:10.17188/1314606

Title: Materials Data on Rb3Pr by Materials Project

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Abstract

Rb3Pr 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 Pr atoms to form distorted RbRb8Pr4 cuboctahedra that share corners with four equivalent PrRb12 cuboctahedra, corners with fourteen equivalent RbRb8Pr4 cuboctahedra, edges with six equivalent PrRb12 cuboctahedra, edges with twelve equivalent RbRb8Pr4 cuboctahedra, faces with four equivalent PrRb12 cuboctahedra, and faces with sixteen equivalent RbRb8Pr4 cuboctahedra. There are a spread of Rb–Rb bond distances ranging from 4.42–4.74 Å. There are two shorter (4.56 Å) and two longer (4.58 Å) Rb–Pr bond lengths. Pr is bonded to twelve equivalent Rb atoms to form PrRb12 cuboctahedra that share corners with six equivalent PrRb12 cuboctahedra, corners with twelve equivalent RbRb8Pr4 cuboctahedra, edges with eighteen equivalent RbRb8Pr4 cuboctahedra, faces with eight equivalent PrRb12 cuboctahedra, and faces with twelve equivalent RbRb8Pr4 cuboctahedra.

Authors:: The Materials Project

Publication Date:: Fri May 01 00:00:00 EDT 2020

Other Number(s):: mp-974662

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; Rb3Pr; Pr-Rb

OSTI Identifier:: 1314606

DOI:: https://doi.org/10.17188/1314606

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                    The Materials Project. Materials Data on Rb3Pr by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314606.

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                    The Materials Project. Materials Data on Rb3Pr by Materials Project.  United States.  doi:https://doi.org/10.17188/1314606

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                    The Materials Project. 2020.  
"Materials Data on Rb3Pr by Materials Project".  United States.  doi:https://doi.org/10.17188/1314606.  https://www.osti.gov/servlets/purl/1314606. Pub date:Fri May 01 00:00:00 EDT 2020

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@article{osti_1314606,

  title        = {Materials Data on Rb3Pr by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb3Pr 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 Pr atoms to form distorted RbRb8Pr4 cuboctahedra that share corners with four equivalent PrRb12 cuboctahedra, corners with fourteen equivalent RbRb8Pr4 cuboctahedra, edges with six equivalent PrRb12 cuboctahedra, edges with twelve equivalent RbRb8Pr4 cuboctahedra, faces with four equivalent PrRb12 cuboctahedra, and faces with sixteen equivalent RbRb8Pr4 cuboctahedra. There are a spread of Rb–Rb bond distances ranging from 4.42–4.74 Å. There are two shorter (4.56 Å) and two longer (4.58 Å) Rb–Pr bond lengths. Pr is bonded to twelve equivalent Rb atoms to form PrRb12 cuboctahedra that share corners with six equivalent PrRb12 cuboctahedra, corners with twelve equivalent RbRb8Pr4 cuboctahedra, edges with eighteen equivalent RbRb8Pr4 cuboctahedra, faces with eight equivalent PrRb12 cuboctahedra, and faces with twelve equivalent RbRb8Pr4 cuboctahedra.},

  doi          = {10.17188/1314606},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Fri May 01 00:00:00 EDT 2020},

  month        = {Fri May 01 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1314606

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