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Title: Materials Data on YbBi2BrO4 by Materials Project

Abstract

YbBi2O4Br is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Yb3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.41 Å) and four longer (2.42 Å) Yb–O bond lengths. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Bi–O bond lengths are 2.22 Å. All Bi–Br bond lengths are 3.56 Å. In the second Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Bi–O bond lengths are 2.22 Å. All Bi–Br bond lengths are 3.56 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OYb2Bi2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OYb2Bi2 tetrahedra. Br1- is bonded in a body-centered cubic geometry to eight Bi3+ atoms.

Publication Date:
Other Number(s):
mp-552016
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; YbBi2BrO4; Bi-Br-O-Yb
OSTI Identifier:
1267552
DOI:
10.17188/1267552

Citation Formats

The Materials Project. Materials Data on YbBi2BrO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267552.
The Materials Project. Materials Data on YbBi2BrO4 by Materials Project. United States. doi:10.17188/1267552.
The Materials Project. 2020. "Materials Data on YbBi2BrO4 by Materials Project". United States. doi:10.17188/1267552. https://www.osti.gov/servlets/purl/1267552. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1267552,
title = {Materials Data on YbBi2BrO4 by Materials Project},
author = {The Materials Project},
abstractNote = {YbBi2O4Br is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4mm space group. The structure is three-dimensional. Yb3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.41 Å) and four longer (2.42 Å) Yb–O bond lengths. There are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Bi–O bond lengths are 2.22 Å. All Bi–Br bond lengths are 3.56 Å. In the second Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Br1- atoms. All Bi–O bond lengths are 2.22 Å. All Bi–Br bond lengths are 3.56 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OYb2Bi2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent Yb3+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OYb2Bi2 tetrahedra. Br1- is bonded in a body-centered cubic geometry to eight Bi3+ atoms.},
doi = {10.17188/1267552},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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