Materials Data on Si13Rh20 by Materials Project

doi:10.17188/1743896

Title: Materials Data on Si13Rh20 by Materials Project

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Abstract

Rh20Si13 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are four inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to six equivalent Si atoms. All Rh–Si bond lengths are 2.55 Å. In the second Rh site, Rh is bonded to four Si atoms to form a mixture of distorted edge and corner-sharing RhSi4 tetrahedra. There are a spread of Rh–Si bond distances ranging from 2.41–2.48 Å. In the third Rh site, Rh is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Rh–Si bond distances ranging from 2.43–2.53 Å. In the fourth Rh site, Rh is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Rh–Si bond distances ranging from 2.43–2.52 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to seven Rh atoms. In the second Si site, Si is bonded in a 6-coordinate geometry to six equivalent Rh atoms. In the third Si site, Si is bonded in a 8-coordinate geometry to eight Rh atoms.

Authors:: The Materials Project

Publication Date:: 2020-04-29

Other Number(s):: mp-1219339

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; Si13Rh20; Rh-Si

OSTI Identifier:: 1743896

DOI:: https://doi.org/10.17188/1743896

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                    The Materials Project. Materials Data on Si13Rh20 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1743896.

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                    The Materials Project. Materials Data on Si13Rh20 by Materials Project.  United States.  doi:https://doi.org/10.17188/1743896

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                    The Materials Project. 2020.  
"Materials Data on Si13Rh20 by Materials Project".  United States.  doi:https://doi.org/10.17188/1743896.  https://www.osti.gov/servlets/purl/1743896. Pub date:Wed Apr 29 00:00:00 EDT 2020

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@article{osti_1743896,

  title        = {Materials Data on Si13Rh20 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rh20Si13 crystallizes in the trigonal P-3 space group. The structure is three-dimensional. there are four inequivalent Rh sites. In the first Rh site, Rh is bonded in a 12-coordinate geometry to six equivalent Si atoms. All Rh–Si bond lengths are 2.55 Å. In the second Rh site, Rh is bonded to four Si atoms to form a mixture of distorted edge and corner-sharing RhSi4 tetrahedra. There are a spread of Rh–Si bond distances ranging from 2.41–2.48 Å. In the third Rh site, Rh is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Rh–Si bond distances ranging from 2.43–2.53 Å. In the fourth Rh site, Rh is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Rh–Si bond distances ranging from 2.43–2.52 Å. There are three inequivalent Si sites. In the first Si site, Si is bonded in a 7-coordinate geometry to seven Rh atoms. In the second Si site, Si is bonded in a 6-coordinate geometry to six equivalent Rh atoms. In the third Si site, Si is bonded in a 8-coordinate geometry to eight Rh atoms.},

  doi          = {10.17188/1743896},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {4}

}

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