U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CuW3Br7 by Materials Project
Abstract
W3CuBr7 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. W2+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.64–2.66 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Br1- atoms. All Cu–Br bond lengths are 2.40 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 12-coordinate geometry to three equivalent W2+ atoms. In the second Br1- site, Br1- is bonded in a 12-coordinate geometry to three equivalent W2+ atoms. In the third Br1- site, Br1- is bonded in a bent 120 degrees geometry to one W2+ and one Cu1+ atom.
- Publication Date:
- Other Number(s):
- mp-23370
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; Br-Cu-W; CuW3Br7; crystal structure
- OSTI Identifier:
- 1199460
- DOI:
- https://doi.org/10.17188/1199460
Citation Formats
Materials Data on CuW3Br7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1199460.
Materials Data on CuW3Br7 by Materials Project. United States. doi:https://doi.org/10.17188/1199460
2020.
"Materials Data on CuW3Br7 by Materials Project". United States. doi:https://doi.org/10.17188/1199460. https://www.osti.gov/servlets/purl/1199460. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1199460,
title = {Materials Data on CuW3Br7 by Materials Project},
abstractNote = {W3CuBr7 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. W2+ is bonded to five Br1- atoms to form edge-sharing WBr5 square pyramids. There are a spread of W–Br bond distances ranging from 2.64–2.66 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Br1- atoms. All Cu–Br bond lengths are 2.40 Å. There are three inequivalent Br1- sites. In the first Br1- site, Br1- is bonded in a 12-coordinate geometry to three equivalent W2+ atoms. In the second Br1- site, Br1- is bonded in a 12-coordinate geometry to three equivalent W2+ atoms. In the third Br1- site, Br1- is bonded in a bent 120 degrees geometry to one W2+ and one Cu1+ atom.},
doi = {10.17188/1199460},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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