U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on AuCl5O18 by Materials Project
Abstract
Au(O7Cl2)2O2ClO2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four hypochlorous acid;hydrate molecules, eight water molecules, and four Au(O7Cl2)2 clusters. In each Au(O7Cl2)2 cluster, Au is bonded in a square co-planar geometry to four O atoms. There are two shorter (2.03 Å) and two longer (2.07 Å) Au–O bond lengths. There are seven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.44 Å. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.43 Å. In the third O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.46 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Au and one Cl atom. The O–Cl bond length is 1.63 Å. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Au and one Cl atom. The O–Cl bond length is 1.62 Å. In the sixth O site, O is bonded in a single-bond geometry tomore »
- Publication Date:
- Other Number(s):
- mp-630336
- 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; Au-Cl-O; AuCl5O18; crystal structure
- OSTI Identifier:
- 1278983
- DOI:
- https://doi.org/10.17188/1278983
Citation Formats
Materials Data on AuCl5O18 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1278983.
Materials Data on AuCl5O18 by Materials Project. United States. doi:https://doi.org/10.17188/1278983
2020.
"Materials Data on AuCl5O18 by Materials Project". United States. doi:https://doi.org/10.17188/1278983. https://www.osti.gov/servlets/purl/1278983. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1278983,
title = {Materials Data on AuCl5O18 by Materials Project},
abstractNote = {Au(O7Cl2)2O2ClO2 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of four hypochlorous acid;hydrate molecules, eight water molecules, and four Au(O7Cl2)2 clusters. In each Au(O7Cl2)2 cluster, Au is bonded in a square co-planar geometry to four O atoms. There are two shorter (2.03 Å) and two longer (2.07 Å) Au–O bond lengths. There are seven inequivalent O sites. In the first O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.44 Å. In the second O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.43 Å. In the third O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.46 Å. In the fourth O site, O is bonded in a bent 120 degrees geometry to one Au and one Cl atom. The O–Cl bond length is 1.63 Å. In the fifth O site, O is bonded in a bent 120 degrees geometry to one Au and one Cl atom. The O–Cl bond length is 1.62 Å. In the sixth O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.46 Å. In the seventh O site, O is bonded in a single-bond geometry to one Cl atom. The O–Cl bond length is 1.44 Å. There are two inequivalent Cl sites. In the first Cl site, Cl is bonded in a tetrahedral geometry to four O atoms. In the second Cl site, Cl is bonded in a trigonal non-coplanar geometry to three O atoms.},
doi = {10.17188/1278983},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}