Materials Data on Rb2SCl6F by Materials Project

doi:10.17188/1316790

Title: Materials Data on Rb2SCl6F by Materials Project

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Abstract

(Rb2SCl6)2F2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrofluoric acid molecules and one Rb2SCl6 framework. In the Rb2SCl6 framework, Rb is bonded to twelve equivalent Cl 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 3.56 Å. S is bonded to six equivalent Cl atoms to form SCl6 octahedra that share faces with eight equivalent RbCl12 cuboctahedra. All S–Cl bond lengths are 2.30 Å. Cl is bonded to four equivalent Rb and one S atom to form a mixture of distorted face, edge, and corner-sharing ClRb4S square pyramids.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-989388

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; Rb2SCl6F; Cl-F-Rb-S

OSTI Identifier:: 1316790

DOI:: https://doi.org/10.17188/1316790

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                    The Materials Project. Materials Data on Rb2SCl6F by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1316790.

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                    The Materials Project. Materials Data on Rb2SCl6F by Materials Project.  United States.  doi:https://doi.org/10.17188/1316790

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                    The Materials Project. 2020.  
"Materials Data on Rb2SCl6F by Materials Project".  United States.  doi:https://doi.org/10.17188/1316790.  https://www.osti.gov/servlets/purl/1316790. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1316790,

  title        = {Materials Data on Rb2SCl6F by Materials Project},

  author       = {The Materials Project},

  abstractNote = {(Rb2SCl6)2F2 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional and consists of four hydrofluoric acid molecules and one Rb2SCl6 framework. In the Rb2SCl6 framework, Rb is bonded to twelve equivalent Cl 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 3.56 Å. S is bonded to six equivalent Cl atoms to form SCl6 octahedra that share faces with eight equivalent RbCl12 cuboctahedra. All S–Cl bond lengths are 2.30 Å. Cl is bonded to four equivalent Rb and one S atom to form a mixture of distorted face, edge, and corner-sharing ClRb4S square pyramids.},

  doi          = {10.17188/1316790},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1316790

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