Materials Data on CsAgBr2 by Materials Project

doi:10.17188/1199523

Title: Materials Data on CsAgBr2 by Materials Project

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Abstract

CsAgBr2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.69–3.90 Å. Ag1+ is bonded to five Br1- atoms to form a mixture of edge and corner-sharing AgBr5 trigonal bipyramids. There are a spread of Ag–Br bond distances ranging from 2.68–3.06 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to six equivalent Cs1+ and one Ag1+ atom. In the second Br1- site, Br1- is bonded to two equivalent Cs1+ and four equivalent Ag1+ atoms to form a mixture of distorted edge and corner-sharing BrCs2Ag4 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-23454

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:: 1199523

DOI:: https://doi.org/10.17188/1199523

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                    The Materials Project. Materials Data on CsAgBr2 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1199523.

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                    The Materials Project. Materials Data on CsAgBr2 by Materials Project.  United States.  doi:https://doi.org/10.17188/1199523

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                    The Materials Project. 2020.  
"Materials Data on CsAgBr2 by Materials Project".  United States.  doi:https://doi.org/10.17188/1199523.  https://www.osti.gov/servlets/purl/1199523. Pub date:Thu Jul 16 00:00:00 EDT 2020

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@article{osti_1199523,

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

  author       = {The Materials Project},

  abstractNote = {CsAgBr2 crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. Cs1+ is bonded in a body-centered cubic geometry to eight Br1- atoms. There are a spread of Cs–Br bond distances ranging from 3.69–3.90 Å. Ag1+ is bonded to five Br1- atoms to form a mixture of edge and corner-sharing AgBr5 trigonal bipyramids. There are a spread of Ag–Br bond distances ranging from 2.68–3.06 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 1-coordinate geometry to six equivalent Cs1+ and one Ag1+ atom. In the second Br1- site, Br1- is bonded to two equivalent Cs1+ and four equivalent Ag1+ atoms to form a mixture of distorted edge and corner-sharing BrCs2Ag4 octahedra. The corner-sharing octahedral tilt angles are 19°.},

  doi          = {10.17188/1199523},

  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/10.17188/1199523

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