U.S. Department of EnergyOffice of Scientific and Technical Information
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 0–1°. There are a spread of W–O bond distances ranging from 1.90–1.95 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 single-bond geometry to one W6+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1119334
- 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; W(BrO)2; Br-O-W
- OSTI Identifier:
- 1732658
- DOI:
- https://doi.org/10.17188/1732658
Citation Formats
The Materials Project. Materials Data on W(BrO)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1732658.
The Materials Project. Materials Data on W(BrO)2 by Materials Project. United States. doi:https://doi.org/10.17188/1732658
The Materials Project. 2020.
"Materials Data on W(BrO)2 by Materials Project". United States. doi:https://doi.org/10.17188/1732658. https://www.osti.gov/servlets/purl/1732658. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1732658,
title = {Materials Data on W(BrO)2 by Materials Project},
author = {The Materials Project},
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 0–1°. There are a spread of W–O bond distances ranging from 1.90–1.95 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 single-bond geometry to one W6+ atom.},
doi = {10.17188/1732658},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}
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