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Title: Materials Data on AuCS2Cl3 by Materials Project

Abstract

AuCS2Cl3 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight AuCS2Cl3 clusters. Au3+ is bonded in a distorted rectangular see-saw-like geometry to two S2- and two Cl1- atoms. There are one shorter (2.35 Å) and one longer (2.36 Å) Au–S bond lengths. There are one shorter (2.33 Å) and one longer (2.34 Å) Au–Cl bond lengths. C4+ is bonded in a trigonal planar geometry to two S2- and one Cl1- atom. Both C–S bond lengths are 1.69 Å. The C–Cl bond length is 1.68 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one Au3+ and one C4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to one Au3+ and one C4+ atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom.

Publication Date:
Other Number(s):
mp-556112
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; AuCS2Cl3; Au-C-Cl-S
OSTI Identifier:
1269179
DOI:
10.17188/1269179

Citation Formats

The Materials Project. Materials Data on AuCS2Cl3 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1269179.
The Materials Project. Materials Data on AuCS2Cl3 by Materials Project. United States. doi:10.17188/1269179.
The Materials Project. 2020. "Materials Data on AuCS2Cl3 by Materials Project". United States. doi:10.17188/1269179. https://www.osti.gov/servlets/purl/1269179. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1269179,
title = {Materials Data on AuCS2Cl3 by Materials Project},
author = {The Materials Project},
abstractNote = {AuCS2Cl3 crystallizes in the monoclinic C2/c space group. The structure is zero-dimensional and consists of eight AuCS2Cl3 clusters. Au3+ is bonded in a distorted rectangular see-saw-like geometry to two S2- and two Cl1- atoms. There are one shorter (2.35 Å) and one longer (2.36 Å) Au–S bond lengths. There are one shorter (2.33 Å) and one longer (2.34 Å) Au–Cl bond lengths. C4+ is bonded in a trigonal planar geometry to two S2- and one Cl1- atom. Both C–S bond lengths are 1.69 Å. The C–Cl bond length is 1.68 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 1-coordinate geometry to one Au3+ and one C4+ atom. In the second S2- site, S2- is bonded in a 1-coordinate geometry to one Au3+ and one C4+ atom. There are three inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom. In the second Cl1- site, Cl1- is bonded in a single-bond geometry to one C4+ atom. In the third Cl1- site, Cl1- is bonded in a single-bond geometry to one Au3+ atom.},
doi = {10.17188/1269179},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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