Materials Data on CuW3Cl7 by Materials Project
Abstract
W3CuCl7 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. W2+ is bonded to five Cl1- atoms to form edge-sharing WCl5 square pyramids. There are a spread of W–Cl bond distances ranging from 2.49–2.52 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Cl1- atoms. All Cu–Cl bond lengths are 2.26 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent W2+ atoms. In the second Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one W2+ and one Cu1+ atom. In the third Cl1- site, Cl1- is bonded in a 12-coordinate geometry to three equivalent W2+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-29557
- 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; CuW3Cl7; Cl-Cu-W
- OSTI Identifier:
- 1204012
- DOI:
- https://doi.org/10.17188/1204012
Citation Formats
The Materials Project. Materials Data on CuW3Cl7 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204012.
The Materials Project. Materials Data on CuW3Cl7 by Materials Project. United States. doi:https://doi.org/10.17188/1204012
The Materials Project. 2020.
"Materials Data on CuW3Cl7 by Materials Project". United States. doi:https://doi.org/10.17188/1204012. https://www.osti.gov/servlets/purl/1204012. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1204012,
title = {Materials Data on CuW3Cl7 by Materials Project},
author = {The Materials Project},
abstractNote = {W3CuCl7 crystallizes in the cubic Pn-3 space group. The structure is three-dimensional. W2+ is bonded to five Cl1- atoms to form edge-sharing WCl5 square pyramids. There are a spread of W–Cl bond distances ranging from 2.49–2.52 Å. Cu1+ is bonded in a trigonal planar geometry to three equivalent Cl1- atoms. All Cu–Cl bond lengths are 2.26 Å. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a 3-coordinate geometry to three equivalent W2+ atoms. In the second Cl1- site, Cl1- is bonded in a bent 120 degrees geometry to one W2+ and one Cu1+ atom. In the third Cl1- site, Cl1- is bonded in a 12-coordinate geometry to three equivalent W2+ atoms.},
doi = {10.17188/1204012},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}
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