Materials Data on CsSrBr3 by Materials Project

doi:10.17188/1317335

Title: Materials Data on CsSrBr3 by Materials Project

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Abstract

CsSrBr3 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.63–3.93 Å. Sr2+ is bonded to six Br1- atoms to form a mixture of corner and edge-sharing SrBr6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Sr–Br bond distances ranging from 3.05–3.11 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Sr2+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Sr2+ atoms. In the third Br1- site, Br1- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and two equivalent Sr2+ atoms.

Authors:: The Materials Project

Publication Date:: Sat May 02 00:00:00 EDT 2020

Other Number(s):: mp-998433

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; CsSrBr3; Br-Cs-Sr

OSTI Identifier:: 1317335

DOI:: https://doi.org/10.17188/1317335

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                    The Materials Project. Materials Data on CsSrBr3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1317335.

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                    The Materials Project. Materials Data on CsSrBr3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1317335

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                    The Materials Project. 2020.  
"Materials Data on CsSrBr3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1317335.  https://www.osti.gov/servlets/purl/1317335. Pub date:Sat May 02 00:00:00 EDT 2020

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@article{osti_1317335,

  title        = {Materials Data on CsSrBr3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsSrBr3 crystallizes in the monoclinic P2_1 space group. The structure is three-dimensional. Cs1+ is bonded in a 8-coordinate geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.63–3.93 Å. Sr2+ is bonded to six Br1- atoms to form a mixture of corner and edge-sharing SrBr6 octahedra. The corner-sharing octahedral tilt angles are 39°. There are a spread of Sr–Br bond distances ranging from 3.05–3.11 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Sr2+ atoms. In the second Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Sr2+ atoms. In the third Br1- site, Br1- is bonded in a 4-coordinate geometry to two equivalent Cs1+ and two equivalent Sr2+ atoms.},

  doi          = {10.17188/1317335},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Sat May 02 00:00:00 EDT 2020},

  month        = {Sat May 02 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1317335

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