Materials Data on Rb5SiAs3 by Materials Project

doi:10.17188/1192534

Title: Materials Data on Rb5SiAs3 by Materials Project

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Abstract

Rb5SiAs3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are five inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 2-coordinate geometry to four As3- atoms. There are a spread of Rb–As bond distances ranging from 3.71–3.99 Å. In the second Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to five As3- atoms. There are a spread of Rb–As bond distances ranging from 3.54–3.84 Å. In the third Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five As3- atoms. There are a spread of Rb–As bond distances ranging from 3.65–3.75 Å. In the fourth Rb1+ site, Rb1+ is bonded to four As3- atoms to form distorted corner-sharing RbAs4 tetrahedra. There are a spread of Rb–As bond distances ranging from 3.53–3.59 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to five As3- atoms. There are a spread of Rb–As bond distances ranging from 3.66–3.86 Å. Si4+ is bonded in a trigonal planar geometry to three As3- atoms. There are two shorter (2.32 Å) and one longer (2.33 Å) Si–As bond lengths. There are three inequivalent As3- sites. In the first As3- site, As3- is bondedmore »« less

Authors:: The Materials Project

Publication Date:: Wed Apr 29 00:00:00 EDT 2020

Other Number(s):: mp-17490

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; Rb5SiAs3; As-Rb-Si

OSTI Identifier:: 1192534

DOI:: https://doi.org/10.17188/1192534

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                    The Materials Project. Materials Data on Rb5SiAs3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1192534.

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                    The Materials Project. Materials Data on Rb5SiAs3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1192534

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                    The Materials Project. 2020.  
"Materials Data on Rb5SiAs3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1192534.  https://www.osti.gov/servlets/purl/1192534. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1192534,

  title        = {Materials Data on Rb5SiAs3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb5SiAs3 crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. there are five inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a 2-coordinate geometry to four As3- atoms. There are a spread of Rb–As bond distances ranging from 3.71–3.99 Å. In the second Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to five As3- atoms. There are a spread of Rb–As bond distances ranging from 3.54–3.84 Å. In the third Rb1+ site, Rb1+ is bonded in a 5-coordinate geometry to five As3- atoms. There are a spread of Rb–As bond distances ranging from 3.65–3.75 Å. In the fourth Rb1+ site, Rb1+ is bonded to four As3- atoms to form distorted corner-sharing RbAs4 tetrahedra. There are a spread of Rb–As bond distances ranging from 3.53–3.59 Å. In the fifth Rb1+ site, Rb1+ is bonded in a 3-coordinate geometry to five As3- atoms. There are a spread of Rb–As bond distances ranging from 3.66–3.86 Å. Si4+ is bonded in a trigonal planar geometry to three As3- atoms. There are two shorter (2.32 Å) and one longer (2.33 Å) Si–As bond lengths. There are three inequivalent As3- sites. In the first As3- site, As3- is bonded in a 1-coordinate geometry to five Rb1+ and one Si4+ atom. In the second As3- site, As3- is bonded in a 1-coordinate geometry to nine Rb1+ and one Si4+ atom. In the third As3- site, As3- is bonded in a 1-coordinate geometry to nine Rb1+ and one Si4+ atom.},

  doi          = {10.17188/1192534},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Apr 29 00:00:00 EDT 2020},

  month        = {Wed Apr 29 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1192534

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