Materials Data on CsEuBr3 by Materials Project

doi:10.17188/1279796

Title: Materials Data on CsEuBr3 by Materials Project

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Abstract

CsEuBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma 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 3.70–4.18 Å. Eu2+ is bonded to six Br1- atoms to form corner-sharing EuBr6 octahedra. The corner-sharing octahedra tilt angles range from 18–24°. All Eu–Br bond lengths are 3.02 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Eu2+ atoms. In the second Br1- site, Br1- is bonded in a distorted see-saw-like geometry to two equivalent Cs1+ and two equivalent Eu2+ atoms.

Authors:: The Materials Project

Publication Date:: Wed Jul 22 00:00:00 EDT 2020

Other Number(s):: mp-638685

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; CsEuBr3; Br-Cs-Eu

OSTI Identifier:: 1279796

DOI:: https://doi.org/10.17188/1279796

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                    The Materials Project. Materials Data on CsEuBr3 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1279796.

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                    The Materials Project. Materials Data on CsEuBr3 by Materials Project.  United States.  doi:https://doi.org/10.17188/1279796

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                    The Materials Project. 2020.  
"Materials Data on CsEuBr3 by Materials Project".  United States.  doi:https://doi.org/10.17188/1279796.  https://www.osti.gov/servlets/purl/1279796. Pub date:Wed Jul 22 00:00:00 EDT 2020

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@article{osti_1279796,

  title        = {Materials Data on CsEuBr3 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {CsEuBr3 is Orthorhombic Perovskite structured and crystallizes in the orthorhombic Pnma 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 3.70–4.18 Å. Eu2+ is bonded to six Br1- atoms to form corner-sharing EuBr6 octahedra. The corner-sharing octahedra tilt angles range from 18–24°. All Eu–Br bond lengths are 3.02 Å. There are two inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 5-coordinate geometry to three equivalent Cs1+ and two equivalent Eu2+ atoms. In the second Br1- site, Br1- is bonded in a distorted see-saw-like geometry to two equivalent Cs1+ and two equivalent Eu2+ atoms.},

  doi          = {10.17188/1279796},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Wed Jul 22 00:00:00 EDT 2020},

  month        = {Wed Jul 22 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1279796

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