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Title: Materials Data on Pb3Se2(BrO3)2 by Materials Project

Abstract

Pb3(SeO3)2Br2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of eight hydrobromic acid molecules and two Pb3(SeO3)2 sheets oriented in the (0, 0, 1) direction. In each Pb3(SeO3)2 sheet, there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.63–2.79 Å. In the second Pb2+ site, Pb2+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.53–2.74 Å. Se2- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.69–1.78 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Pb2+ and one Se2- atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Pb2+ and one Se2- atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Pb2+ and one Se2- atom.

Authors:
Publication Date:
Other Number(s):
mp-1194412
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; Pb3Se2(BrO3)2; Br-O-Pb-Se
OSTI Identifier:
1758350
DOI:
https://doi.org/10.17188/1758350

Citation Formats

The Materials Project. Materials Data on Pb3Se2(BrO3)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1758350.
The Materials Project. Materials Data on Pb3Se2(BrO3)2 by Materials Project. United States. doi:https://doi.org/10.17188/1758350
The Materials Project. 2020. "Materials Data on Pb3Se2(BrO3)2 by Materials Project". United States. doi:https://doi.org/10.17188/1758350. https://www.osti.gov/servlets/purl/1758350. Pub date:Thu Sep 03 00:00:00 EDT 2020
@article{osti_1758350,
title = {Materials Data on Pb3Se2(BrO3)2 by Materials Project},
author = {The Materials Project},
abstractNote = {Pb3(SeO3)2Br2 crystallizes in the monoclinic C2/c space group. The structure is two-dimensional and consists of eight hydrobromic acid molecules and two Pb3(SeO3)2 sheets oriented in the (0, 0, 1) direction. In each Pb3(SeO3)2 sheet, there are two inequivalent Pb2+ sites. In the first Pb2+ site, Pb2+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Pb–O bond distances ranging from 2.63–2.79 Å. In the second Pb2+ site, Pb2+ is bonded in a distorted pentagonal planar geometry to five O2- atoms. There are a spread of Pb–O bond distances ranging from 2.53–2.74 Å. Se2- is bonded in a distorted trigonal non-coplanar geometry to three O2- atoms. There are a spread of Se–O bond distances ranging from 1.69–1.78 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to three Pb2+ and one Se2- atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two Pb2+ and one Se2- atom. In the third O2- site, O2- is bonded in a 4-coordinate geometry to three Pb2+ and one Se2- atom.},
doi = {10.17188/1758350},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {9}
}