Materials Data on CsRb2InCl6 by Materials Project

doi:10.17188/1654916

Title: Materials Data on CsRb2InCl6 by Materials Project

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Abstract

CsRb2InCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent Cl1- atoms to form CsCl6 octahedra that share corners with six equivalent InCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–Cl bond lengths are 3.24 Å. Rb1+ is bonded in a 12-coordinate geometry to twelve equivalent Cl1- atoms. All Rb–Cl bond lengths are 4.10 Å. In3+ is bonded to six equivalent Cl1- atoms to form InCl6 octahedra that share corners with six equivalent CsCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–Cl bond lengths are 2.54 Å. Cl1- is bonded in a linear geometry to one Cs1+, four equivalent Rb1+, and one In3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-07-22

Other Number(s):: mp-1113607

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; CsRb2InCl6; Cl-Cs-In-Rb

OSTI Identifier:: 1654916

DOI:: https://doi.org/10.17188/1654916

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                    The Materials Project. Materials Data on CsRb2InCl6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1654916.

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                    The Materials Project. Materials Data on CsRb2InCl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1654916

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                    The Materials Project. 2020.  
"Materials Data on CsRb2InCl6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1654916.  https://www.osti.gov/servlets/purl/1654916. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1654916,

  title        = {Materials Data on CsRb2InCl6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsRb2InCl6 crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to six equivalent Cl1- atoms to form CsCl6 octahedra that share corners with six equivalent InCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All Cs–Cl bond lengths are 3.24 Å. Rb1+ is bonded in a 12-coordinate geometry to twelve equivalent Cl1- atoms. All Rb–Cl bond lengths are 4.10 Å. In3+ is bonded to six equivalent Cl1- atoms to form InCl6 octahedra that share corners with six equivalent CsCl6 octahedra. The corner-sharing octahedral tilt angles are 0°. All In–Cl bond lengths are 2.54 Å. Cl1- is bonded in a linear geometry to one Cs1+, four equivalent Rb1+, and one In3+ atom.},

  doi          = {10.17188/1654916},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {7}

}

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DOI: https://doi.org/10.17188/1654916

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