U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ga2CuCl8 by Materials Project
Abstract
Cu(GaCl4)2 is Hg_xSn structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two Cu(GaCl4)2 clusters. Cu2+ is bonded in a distorted square co-planar geometry to four Cl1- atoms. All Cu–Cl bond lengths are 2.31 Å. Ga3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Ga–Cl bond distances ranging from 2.13–2.29 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga3+ atom. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to one Cu2+ and one Ga3+ atom. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to one Cu2+ and one Ga3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ga3+ atom.
- Publication Date:
- Other Number(s):
- mp-29300
- 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; Cl-Cu-Ga; Ga2CuCl8; crystal structure
- OSTI Identifier:
- 1203666
- DOI:
- https://doi.org/10.17188/1203666
Citation Formats
Materials Data on Ga2CuCl8 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1203666.
Materials Data on Ga2CuCl8 by Materials Project. United States. doi:https://doi.org/10.17188/1203666
2020.
"Materials Data on Ga2CuCl8 by Materials Project". United States. doi:https://doi.org/10.17188/1203666. https://www.osti.gov/servlets/purl/1203666. Pub date:Thu Jul 23 04:00:00 UTC 2020
@article{osti_1203666,
title = {Materials Data on Ga2CuCl8 by Materials Project},
abstractNote = {Cu(GaCl4)2 is Hg_xSn structured and crystallizes in the monoclinic P2_1/c space group. The structure is zero-dimensional and consists of two Cu(GaCl4)2 clusters. Cu2+ is bonded in a distorted square co-planar geometry to four Cl1- atoms. All Cu–Cl bond lengths are 2.31 Å. Ga3+ is bonded in a tetrahedral geometry to four Cl1- atoms. There are a spread of Ga–Cl bond distances ranging from 2.13–2.29 Å. There are four inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Ga3+ atom. In the second Cl1- site, Cl1- is bonded in an L-shaped geometry to one Cu2+ and one Ga3+ atom. In the third Cl1- site, Cl1- is bonded in an L-shaped geometry to one Cu2+ and one Ga3+ atom. In the fourth Cl1- site, Cl1- is bonded in a distorted single-bond geometry to one Ga3+ atom.},
doi = {10.17188/1203666},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}