Materials Data on Cs6Br4O by Materials Project

doi:10.17188/1740683

Title: Materials Data on Cs6Br4O by Materials Project

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Abstract

Cs6OBr4 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Cs1+ is bonded to one O2- and five Br1- atoms to form a mixture of distorted edge, corner, and face-sharing CsBr5O octahedra. The corner-sharing octahedra tilt angles range from 0–62°. The Cs–O bond length is 2.92 Å. There are a spread of Cs–Br bond distances ranging from 3.63–4.03 Å. O2- is bonded in an octahedral geometry to six equivalent Cs1+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 8-coordinate geometry to eight equivalent Cs1+ atoms. In the second Br1- site, Br1- is bonded in a 6-coordinate geometry to six equivalent Cs1+ atoms.

Authors:: The Materials Project

Publication Date:: 2020-05-09

Other Number(s):: mp-1178399

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; Cs6Br4O; Br-Cs-O

OSTI Identifier:: 1740683

DOI:: https://doi.org/10.17188/1740683

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                    The Materials Project. Materials Data on Cs6Br4O by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1740683.

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                    The Materials Project. Materials Data on Cs6Br4O by Materials Project.  United States.  doi:https://doi.org/10.17188/1740683

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                    The Materials Project. 2020.  
"Materials Data on Cs6Br4O by Materials Project".  United States.  doi:https://doi.org/10.17188/1740683.  https://www.osti.gov/servlets/purl/1740683. Pub date:Sat May 09 00:00:00 EDT 2020

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@article{osti_1740683,

  title        = {Materials Data on Cs6Br4O by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Cs6OBr4 crystallizes in the trigonal R-3c space group. The structure is three-dimensional. Cs1+ is bonded to one O2- and five Br1- atoms to form a mixture of distorted edge, corner, and face-sharing CsBr5O octahedra. The corner-sharing octahedra tilt angles range from 0–62°. The Cs–O bond length is 2.92 Å. There are a spread of Cs–Br bond distances ranging from 3.63–4.03 Å. O2- is bonded in an octahedral geometry to six equivalent Cs1+ atoms. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 8-coordinate geometry to eight equivalent Cs1+ atoms. In the second Br1- site, Br1- is bonded in a 6-coordinate geometry to six equivalent Cs1+ atoms.},

  doi          = {10.17188/1740683},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {2020},

  month        = {5}

}

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DOI: https://doi.org/10.17188/1740683

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