Materials Data on Rb4SbRhCl12 by Materials Project

doi:10.17188/1667116

Title: Materials Data on Rb4SbRhCl12 by Materials Project

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Abstract

Rb4RhSbCl12 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to twelve Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.39–3.98 Å. Rh3+ is bonded in an octahedral geometry to six Cl1- atoms. All Rh–Cl bond lengths are 2.38 Å. Sb5+ is bonded in an octahedral geometry to six Cl1- atoms. There are four shorter (2.42 Å) and two longer (2.44 Å) Sb–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Rh3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Sb5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to four equivalent Rb1+ and one Sb5+ atom. In the fourth Cl1- site, Cl1- is bonded to four equivalent Rb1+ and one Rh3+ atom to form a mixture of distorted edge, corner, and face-sharing ClRb4Rh square pyramids.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-1219625

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; Rb4SbRhCl12; Cl-Rb-Rh-Sb

OSTI Identifier:: 1667116

DOI:: https://doi.org/10.17188/1667116

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                    The Materials Project. Materials Data on Rb4SbRhCl12 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1667116.

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                    The Materials Project. Materials Data on Rb4SbRhCl12 by Materials Project.  United States.  doi:https://doi.org/10.17188/1667116

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                    The Materials Project. 2020.  
"Materials Data on Rb4SbRhCl12 by Materials Project".  United States.  doi:https://doi.org/10.17188/1667116.  https://www.osti.gov/servlets/purl/1667116. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1667116,

  title        = {Materials Data on Rb4SbRhCl12 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb4RhSbCl12 crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Rb1+ is bonded in a 12-coordinate geometry to twelve Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.39–3.98 Å. Rh3+ is bonded in an octahedral geometry to six Cl1- atoms. All Rh–Cl bond lengths are 2.38 Å. Sb5+ is bonded in an octahedral geometry to six Cl1- atoms. There are four shorter (2.42 Å) and two longer (2.44 Å) Sb–Cl bond lengths. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Rh3+ atom. In the second Cl1- site, Cl1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one Sb5+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to four equivalent Rb1+ and one Sb5+ atom. In the fourth Cl1- site, Cl1- is bonded to four equivalent Rb1+ and one Rh3+ atom to form a mixture of distorted edge, corner, and face-sharing ClRb4Rh square pyramids.},

  doi          = {10.17188/1667116},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1667116

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