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Title: Materials Data on Pb(BrO3)2 by Materials Project

Abstract

Pb(O3Br)2 crystallizes in the orthorhombic Pbcn space group. The structure is two-dimensional and consists of two Pb(O3Br)2 sheets oriented in the (0, 0, 1) direction. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.46–2.94 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Pb2+ and one Br5+ atom. The O–Br bond length is 1.75 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one Br5+ atom. The O–Br bond length is 1.70 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Br5+ atom. The O–Br bond length is 1.66 Å. Br5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-769016
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; Pb(BrO3)2; Br-O-Pb
OSTI Identifier:
1298610
DOI:
10.17188/1298610

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on Pb(BrO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1298610.
Persson, Kristin, & Project, Materials. Materials Data on Pb(BrO3)2 by Materials Project. United States. doi:10.17188/1298610.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on Pb(BrO3)2 by Materials Project". United States. doi:10.17188/1298610. https://www.osti.gov/servlets/purl/1298610. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1298610,
title = {Materials Data on Pb(BrO3)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {Pb(O3Br)2 crystallizes in the orthorhombic Pbcn space group. The structure is two-dimensional and consists of two Pb(O3Br)2 sheets oriented in the (0, 0, 1) direction. Pb2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Pb–O bond distances ranging from 2.46–2.94 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to two equivalent Pb2+ and one Br5+ atom. The O–Br bond length is 1.75 Å. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Pb2+ and one Br5+ atom. The O–Br bond length is 1.70 Å. In the third O2- site, O2- is bonded in a single-bond geometry to one Br5+ atom. The O–Br bond length is 1.66 Å. Br5+ is bonded in a trigonal non-coplanar geometry to three O2- atoms.},
doi = {10.17188/1298610},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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