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Title: Materials Data on ErBi2BrO4 by Materials Project

Abstract

ErBi2O4Br is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Er3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Er–O bond lengths are 2.38 Å. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Bi–O bond lengths are 2.25 Å. All Bi–Br bond lengths are 3.50 Å. O2- is bonded to two equivalent Er3+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OEr2Bi2 tetrahedra. Br1- is bonded in a body-centered cubic geometry to eight equivalent Bi3+ atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-546621
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; ErBi2BrO4; Bi-Br-Er-O
OSTI Identifier:
1267196
DOI:
10.17188/1267196

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on ErBi2BrO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267196.
Persson, Kristin, & Project, Materials. Materials Data on ErBi2BrO4 by Materials Project. United States. doi:10.17188/1267196.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on ErBi2BrO4 by Materials Project". United States. doi:10.17188/1267196. https://www.osti.gov/servlets/purl/1267196. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1267196,
title = {Materials Data on ErBi2BrO4 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {ErBi2O4Br is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Er3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Er–O bond lengths are 2.38 Å. Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Bi–O bond lengths are 2.25 Å. All Bi–Br bond lengths are 3.50 Å. O2- is bonded to two equivalent Er3+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OEr2Bi2 tetrahedra. Br1- is bonded in a body-centered cubic geometry to eight equivalent Bi3+ atoms.},
doi = {10.17188/1267196},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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