Materials Data on Cs2RbTlCl6 by Materials Project

doi:10.17188/1695849

Title: Materials Data on Cs2RbTlCl6 by Materials Project

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Abstract

Cs2RbTlCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent RbCl6 octahedra, and faces with four equivalent TlCl6 octahedra. All Cs–Cl bond lengths are 4.07 Å. Rb1+ is bonded to six equivalent Cl1- atoms to form RbCl6 octahedra that share corners with six equivalent TlCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–Cl bond lengths are 3.12 Å. Tl3+ is bonded to six equivalent Cl1- atoms to form TlCl6 octahedra that share corners with six equivalent RbCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Cl bond lengths are 2.62 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Rb1+, and one Tl3+ atom.

Authors:: The Materials Project

Publication Date:: 2020-05-02

Other Number(s):: mp-1112004

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; Cs2RbTlCl6; Cl-Cs-Rb-Tl

OSTI Identifier:: 1695849

DOI:: https://doi.org/10.17188/1695849

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                    The Materials Project. Materials Data on Cs2RbTlCl6 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1695849.

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                    The Materials Project. Materials Data on Cs2RbTlCl6 by Materials Project.  United States.  doi:https://doi.org/10.17188/1695849

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                    The Materials Project. 2020.  
"Materials Data on Cs2RbTlCl6 by Materials Project".  United States.  doi:https://doi.org/10.17188/1695849.  https://www.osti.gov/servlets/purl/1695849. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1695849,

  title        = {Materials Data on Cs2RbTlCl6 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs2RbTlCl6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Cs1+ is bonded to twelve equivalent Cl1- atoms to form CsCl12 cuboctahedra that share corners with twelve equivalent CsCl12 cuboctahedra, faces with six equivalent CsCl12 cuboctahedra, faces with four equivalent RbCl6 octahedra, and faces with four equivalent TlCl6 octahedra. All Cs–Cl bond lengths are 4.07 Å. Rb1+ is bonded to six equivalent Cl1- atoms to form RbCl6 octahedra that share corners with six equivalent TlCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Rb–Cl bond lengths are 3.12 Å. Tl3+ is bonded to six equivalent Cl1- atoms to form TlCl6 octahedra that share corners with six equivalent RbCl6 octahedra and faces with eight equivalent CsCl12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Tl–Cl bond lengths are 2.62 Å. Cl1- is bonded in a distorted linear geometry to four equivalent Cs1+, one Rb1+, and one Tl3+ atom.},

  doi          = {10.17188/1695849},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1695849

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