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Title: Materials Data on Bi3BrO4 by Materials Project

Abstract

Bi3O4Br crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 3-coordinate geometry to three O2- and two equivalent Br1- atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.16 Å. There are one shorter (3.38 Å) and one longer (3.47 Å) Bi–Br bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.25–2.95 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four Bi3+ atoms. Br1- is bonded in a 8-coordinate geometry to four equivalent Bi3+ atoms.

Authors:
Publication Date:
Other Number(s):
mp-29447
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; Bi3BrO4; Bi-Br-O
OSTI Identifier:
1203837
DOI:
https://doi.org/10.17188/1203837

Citation Formats

The Materials Project. Materials Data on Bi3BrO4 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1203837.
The Materials Project. Materials Data on Bi3BrO4 by Materials Project. United States. doi:https://doi.org/10.17188/1203837
The Materials Project. 2020. "Materials Data on Bi3BrO4 by Materials Project". United States. doi:https://doi.org/10.17188/1203837. https://www.osti.gov/servlets/purl/1203837. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1203837,
title = {Materials Data on Bi3BrO4 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi3O4Br crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. there are two inequivalent Bi3+ sites. In the first Bi3+ site, Bi3+ is bonded in a 3-coordinate geometry to three O2- and two equivalent Br1- atoms. There are a spread of Bi–O bond distances ranging from 2.13–2.16 Å. There are one shorter (3.38 Å) and one longer (3.47 Å) Bi–Br bond lengths. In the second Bi3+ site, Bi3+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Bi–O bond distances ranging from 2.25–2.95 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three Bi3+ atoms. In the second O2- site, O2- is bonded in a 2-coordinate geometry to four Bi3+ atoms. Br1- is bonded in a 8-coordinate geometry to four equivalent Bi3+ atoms.},
doi = {10.17188/1203837},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}