Title: Materials Data on LuBi2BrO4 by Materials Project

Abstract

LuBi2O4Br is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Lu3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Lu–O bond lengths are 2.36 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 3.49 Å. O2- is bonded to two equivalent Lu3+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OLu2Bi2 tetrahedra. Br1- is bonded in a body-centered cubic geometry to eight equivalent Bi3+ atoms.

Publication Date:
Other Number(s):
mp-545847
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; Bi-Br-Lu-O; crystal structure; LuBi2BrO4
OSTI Identifier:
1267131
DOI:
https://doi.org/10.17188/1267131

Citation Formats

Materials Data on LuBi2BrO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1267131.
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Materials Data on LuBi2BrO4 by Materials Project. United States. doi:https://doi.org/10.17188/1267131
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2020. "Materials Data on LuBi2BrO4 by Materials Project". United States. doi:https://doi.org/10.17188/1267131. https://www.osti.gov/servlets/purl/1267131. Pub date:Wed Jul 15 20:00:00 EDT 2020
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@article{osti_1267131,
title = {Materials Data on LuBi2BrO4 by Materials Project},
abstractNote = {LuBi2O4Br is alpha bismuth trifluoride-derived structured and crystallizes in the tetragonal P4/mmm space group. The structure is three-dimensional. Lu3+ is bonded in a body-centered cubic geometry to eight equivalent O2- atoms. All Lu–O bond lengths are 2.36 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 3.49 Å. O2- is bonded to two equivalent Lu3+ and two equivalent Bi3+ atoms to form a mixture of edge and corner-sharing OLu2Bi2 tetrahedra. Br1- is bonded in a body-centered cubic geometry to eight equivalent Bi3+ atoms.},
doi = {10.17188/1267131},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1267131
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