Materials Data on CsAgBr2 by Materials Project

doi:10.17188/1276091

Title: Materials Data on CsAgBr2 by Materials Project

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Abstract

CsAgBr2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Cs1+ is bonded in a 5-coordinate geometry to nine Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.67–4.07 Å. Ag1+ is bonded in a 5-coordinate geometry to five Br1- atoms. There are one shorter (2.66 Å) and four longer (2.88 Å) Ag–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to four equivalent Cs1+ and four equivalent Ag1+ atoms. In the second Br1- site, Br1- is bonded to five equivalent Cs1+ and one Ag1+ atom to form a mixture of distorted edge and corner-sharing BrCs5Ag octahedra. The corner-sharing octahedral tilt angles are 19°.

Authors:: The Materials Project

Publication Date:: Thu Jul 16 00:00:00 EDT 2020

Other Number(s):: mp-571100

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; CsAgBr2; Ag-Br-Cs

OSTI Identifier:: 1276091

DOI:: https://doi.org/10.17188/1276091

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                    The Materials Project. Materials Data on CsAgBr2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1276091.

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                    The Materials Project. Materials Data on CsAgBr2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1276091

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                    The Materials Project. 2020.  
"Materials Data on CsAgBr2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1276091.  https://www.osti.gov/servlets/purl/1276091. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1276091,

  title        = {Materials Data on CsAgBr2 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsAgBr2 crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Cs1+ is bonded in a 5-coordinate geometry to nine Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.67–4.07 Å. Ag1+ is bonded in a 5-coordinate geometry to five Br1- atoms. There are one shorter (2.66 Å) and four longer (2.88 Å) Ag–Br bond lengths. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 4-coordinate geometry to four equivalent Cs1+ and four equivalent Ag1+ atoms. In the second Br1- site, Br1- is bonded to five equivalent Cs1+ and one Ag1+ atom to form a mixture of distorted edge and corner-sharing BrCs5Ag octahedra. The corner-sharing octahedral tilt angles are 19°.},

  doi          = {10.17188/1276091},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Thu Jul 16 00:00:00 EDT 2020},

  month        = {Thu Jul 16 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1276091

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