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Title: Materials Data on Bi2BrClO2 by Materials Project

Abstract

Bi2O2BrCl crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of one Bi2O2BrCl sheet oriented in the (0, 0, 1) direction. 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 2.35 Å. All Bi–Br bond lengths are 3.20 Å. In the second Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Bi–O bond lengths are 2.35 Å. All Bi–Cl bond lengths are 3.10 Å. O2- is bonded to four Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. Br1- is bonded in a 4-coordinate geometry to four equivalent Bi3+ atoms. Cl1- is bonded in a 4-coordinate geometry to four equivalent Bi3+ atoms.

Publication Date:
Other Number(s):
mp-1227332
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; Bi2BrClO2; Bi-Br-Cl-O
OSTI Identifier:
1710388
DOI:
https://doi.org/10.17188/1710388

Citation Formats

The Materials Project. Materials Data on Bi2BrClO2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1710388.
The Materials Project. Materials Data on Bi2BrClO2 by Materials Project. United States. doi:https://doi.org/10.17188/1710388
The Materials Project. 2020. "Materials Data on Bi2BrClO2 by Materials Project". United States. doi:https://doi.org/10.17188/1710388. https://www.osti.gov/servlets/purl/1710388. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1710388,
title = {Materials Data on Bi2BrClO2 by Materials Project},
author = {The Materials Project},
abstractNote = {Bi2O2BrCl crystallizes in the tetragonal P4mm space group. The structure is two-dimensional and consists of one Bi2O2BrCl sheet oriented in the (0, 0, 1) direction. 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 2.35 Å. All Bi–Br bond lengths are 3.20 Å. In the second Bi3+ site, Bi3+ is bonded in a 4-coordinate geometry to four equivalent O2- and four equivalent Cl1- atoms. All Bi–O bond lengths are 2.35 Å. All Bi–Cl bond lengths are 3.10 Å. O2- is bonded to four Bi3+ atoms to form a mixture of edge and corner-sharing OBi4 tetrahedra. Br1- is bonded in a 4-coordinate geometry to four equivalent Bi3+ atoms. Cl1- is bonded in a 4-coordinate geometry to four equivalent Bi3+ atoms.},
doi = {10.17188/1710388},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}