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Title: Materials Data on W(BrO)2 by Materials Project

Abstract

WO2Br2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is two-dimensional and consists of one WO2Br2 sheet oriented in the (0, 0, 1) direction. W6+ is bonded to four O2- and two equivalent Br1- atoms to form distorted corner-sharing WBr2O4 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of W–O bond distances ranging from 1.87–2.00 Å. Both W–Br bond lengths are 2.50 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. Br1- is bonded in a distorted single-bond geometry to one W6+ atom.

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-774146
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; W(BrO)2; Br-O-W
OSTI Identifier:
1302385
DOI:
10.17188/1302385

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on W(BrO)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1302385.
Persson, Kristin, & Project, Materials. Materials Data on W(BrO)2 by Materials Project. United States. doi:10.17188/1302385.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on W(BrO)2 by Materials Project". United States. doi:10.17188/1302385. https://www.osti.gov/servlets/purl/1302385. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1302385,
title = {Materials Data on W(BrO)2 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {WO2Br2 crystallizes in the orthorhombic Pmc2_1 space group. The structure is two-dimensional and consists of one WO2Br2 sheet oriented in the (0, 0, 1) direction. W6+ is bonded to four O2- and two equivalent Br1- atoms to form distorted corner-sharing WBr2O4 octahedra. The corner-sharing octahedra tilt angles range from 0–2°. There are a spread of W–O bond distances ranging from 1.87–2.00 Å. Both W–Br bond lengths are 2.50 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent W6+ atoms. Br1- is bonded in a distorted single-bond geometry to one W6+ atom.},
doi = {10.17188/1302385},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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