Materials Data on RbAs by Materials Project

doi:10.17188/1187372

Title: Materials Data on RbAs by Materials Project

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Abstract

RbAs is Magnesium tetraboride-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six As1- atoms. There are a spread of Rb–As bond distances ranging from 3.47–3.90 Å. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five As1- atoms. There are a spread of Rb–As bond distances ranging from 3.44–3.64 Å. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded in a 7-coordinate geometry to five Rb1+ and two equivalent As1- atoms. There are one shorter (2.53 Å) and one longer (2.55 Å) As–As bond lengths. In the second As1- site, As1- is bonded in a 8-coordinate geometry to six Rb1+ and two equivalent As1- atoms.

Authors:: The Materials Project

Publication Date:: 2020-07-14

Other Number(s):: mp-10802

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; RbAs; As-Rb

OSTI Identifier:: 1187372

DOI:: https://doi.org/10.17188/1187372

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                    The Materials Project. Materials Data on RbAs by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1187372.

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                    The Materials Project. Materials Data on RbAs by Materials Project.  United States.  doi:https://doi.org/10.17188/1187372

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                    The Materials Project. 2020.  
"Materials Data on RbAs by Materials Project".  United States.  doi:https://doi.org/10.17188/1187372.  https://www.osti.gov/servlets/purl/1187372. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1187372,

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

  author       = {The Materials Project},

  abstractNote = {RbAs is Magnesium tetraboride-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 6-coordinate geometry to six As1- atoms. There are a spread of Rb–As bond distances ranging from 3.47–3.90 Å. In the second Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five As1- atoms. There are a spread of Rb–As bond distances ranging from 3.44–3.64 Å. There are two inequivalent As1- sites. In the first As1- site, As1- is bonded in a 7-coordinate geometry to five Rb1+ and two equivalent As1- atoms. There are one shorter (2.53 Å) and one longer (2.55 Å) As–As bond lengths. In the second As1- site, As1- is bonded in a 8-coordinate geometry to six Rb1+ and two equivalent As1- atoms.},

  doi          = {10.17188/1187372},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1187372

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