Materials Data on Rb2SBrCl6 by Materials Project

doi:10.17188/1316817

Title: Materials Data on Rb2SBrCl6 by Materials Project

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Abstract

Rb2SCl6Br crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrobromic acid molecules and one Rb2SCl6 framework. In the Rb2SCl6 framework, Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with four equivalent SCl6 octahedra. All Rb–Cl bond lengths are 3.79 Å. S1- is bonded to six equivalent Cl1- atoms to form SCl6 octahedra that share faces with eight equivalent RbCl12 cuboctahedra. All S–Cl bond lengths are 2.34 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one S1- atom.

Authors:: The Materials Project

Publication Date:: 2020-07-20

Other Number(s):: mp-989518

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; Rb2SBrCl6; Br-Cl-Rb-S

OSTI Identifier:: 1316817

DOI:: https://doi.org/10.17188/1316817

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                    The Materials Project. Materials Data on Rb2SBrCl6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316817.

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                    The Materials Project. Materials Data on Rb2SBrCl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1316817

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                    The Materials Project. 2020.  
"Materials Data on Rb2SBrCl6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1316817.  https://www.osti.gov/servlets/purl/1316817. Pub date:Mon Jul 20 00:00:00 EDT 2020

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@article{osti_1316817,

  title        = {Materials Data on Rb2SBrCl6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Rb2SCl6Br crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrobromic acid molecules and one Rb2SCl6 framework. In the Rb2SCl6 framework, Rb1+ is bonded to twelve equivalent Cl1- atoms to form RbCl12 cuboctahedra that share corners with twelve equivalent RbCl12 cuboctahedra, faces with six equivalent RbCl12 cuboctahedra, and faces with four equivalent SCl6 octahedra. All Rb–Cl bond lengths are 3.79 Å. S1- is bonded to six equivalent Cl1- atoms to form SCl6 octahedra that share faces with eight equivalent RbCl12 cuboctahedra. All S–Cl bond lengths are 2.34 Å. Cl1- is bonded in a distorted single-bond geometry to four equivalent Rb1+ and one S1- atom.},

  doi          = {10.17188/1316817},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316817

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