Materials Data on Rb3Na by Materials Project

doi:10.17188/1314662

Title: Materials Data on Rb3Na by Materials Project

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Abstract

Rb3Na is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to eight Rb atoms. There are four shorter (4.64 Å) and four longer (4.77 Å) Rb–Rb bond lengths. In the second Rb site, Rb is bonded to eight equivalent Rb and four equivalent Na atoms to form a mixture of distorted face, edge, and corner-sharing RbRb8Na4 cuboctahedra. All Rb–Na bond lengths are 4.64 Å. Na is bonded in a distorted square co-planar geometry to four equivalent Rb atoms.

Authors:: The Materials Project

Publication Date:: Mon Jul 20 00:00:00 EDT 2020

Other Number(s):: mp-974862

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; Rb3Na; Na-Rb

OSTI Identifier:: 1314662

DOI:: https://doi.org/10.17188/1314662

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                    The Materials Project. Materials Data on Rb3Na by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1314662.

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                    The Materials Project. Materials Data on Rb3Na by Materials Project.  United States.  doi:https://doi.org/10.17188/1314662

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                    The Materials Project. 2020.  
"Materials Data on Rb3Na by Materials Project".  United States.  doi:https://doi.org/10.17188/1314662.  https://www.osti.gov/servlets/purl/1314662. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1314662,

  title        = {Materials Data on Rb3Na by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb3Na is Parent of FeAs superconductors-derived structured and crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Rb sites. In the first Rb site, Rb is bonded in a 8-coordinate geometry to eight Rb atoms. There are four shorter (4.64 Å) and four longer (4.77 Å) Rb–Rb bond lengths. In the second Rb site, Rb is bonded to eight equivalent Rb and four equivalent Na atoms to form a mixture of distorted face, edge, and corner-sharing RbRb8Na4 cuboctahedra. All Rb–Na bond lengths are 4.64 Å. Na is bonded in a distorted square co-planar geometry to four equivalent Rb atoms.},

  doi          = {10.17188/1314662},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Mon Jul 20 00:00:00 EDT 2020},

  month        = {Mon Jul 20 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1314662

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