Materials Data on Eu3BrO4 by Materials Project

doi:10.17188/1264863

Title: Materials Data on Eu3BrO4 by Materials Project

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Abstract

Eu3O4Br crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 7-coordinate geometry to five O2- and two equivalent Br1- atoms. There are a spread of Eu–O bond distances ranging from 2.26–2.36 Å. Both Eu–Br bond lengths are 3.25 Å. In the second Eu3+ site, Eu3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Eu–O bond distances ranging from 2.28–2.38 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of corner and edge-sharing OEu4 tetrahedra. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Eu3+ atoms. In the third O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of distorted corner and edge-sharing OEu4 tetrahedra. Br1- is bonded in a 4-coordinate geometry to four equivalent Eu3+ atoms.

Authors:: The Materials Project

Publication Date:: Tue Jul 14 00:00:00 EDT 2020

Other Number(s):: mp-540915

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; Eu3BrO4; Br-Eu-O

OSTI Identifier:: 1264863

DOI:: https://doi.org/10.17188/1264863

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                    The Materials Project. Materials Data on Eu3BrO4 by Materials Project.  United States: N. p., 2020. 
        Web.  doi:10.17188/1264863.

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                    The Materials Project. Materials Data on Eu3BrO4 by Materials Project.  United States.  doi:https://doi.org/10.17188/1264863

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                    The Materials Project. 2020.  
"Materials Data on Eu3BrO4 by Materials Project".  United States.  doi:https://doi.org/10.17188/1264863.  https://www.osti.gov/servlets/purl/1264863. Pub date:Tue Jul 14 00:00:00 EDT 2020

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@article{osti_1264863,

  title        = {Materials Data on Eu3BrO4 by Materials Project},

  author       = {The Materials Project},

  abstractNote = {Eu3O4Br crystallizes in the orthorhombic Cmcm space group. The structure is three-dimensional. there are two inequivalent Eu3+ sites. In the first Eu3+ site, Eu3+ is bonded in a 7-coordinate geometry to five O2- and two equivalent Br1- atoms. There are a spread of Eu–O bond distances ranging from 2.26–2.36 Å. Both Eu–Br bond lengths are 3.25 Å. In the second Eu3+ site, Eu3+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of Eu–O bond distances ranging from 2.28–2.38 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of corner and edge-sharing OEu4 tetrahedra. In the second O2- site, O2- is bonded in a trigonal planar geometry to three Eu3+ atoms. In the third O2- site, O2- is bonded to four Eu3+ atoms to form a mixture of distorted corner and edge-sharing OEu4 tetrahedra. Br1- is bonded in a 4-coordinate geometry to four equivalent Eu3+ atoms.},

  doi          = {10.17188/1264863},

  journal      = {},

  number       = ,

  volume       = ,

  place        = {United States},

  year         = {Tue Jul 14 00:00:00 EDT 2020},

  month        = {Tue Jul 14 00:00:00 EDT 2020}

}

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DOI: https://doi.org/10.17188/1264863

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