skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Hg3AsS4Cl by Materials Project

Abstract

Hg3AsS4Cl crystallizes in the hexagonal P6_3mc space group. The structure is two-dimensional and consists of two Hg3AsS4Cl sheets oriented in the (0, 0, 1) direction. Hg2+ is bonded to three S2- and one Cl1- atom to form a mixture of distorted edge and corner-sharing HgS3Cl trigonal pyramids. There are one shorter (2.50 Å) and two longer (2.58 Å) Hg–S bond lengths. The Hg–Cl bond length is 2.96 Å. As3+ is bonded in a distorted T-shaped geometry to three equivalent S2- atoms. All As–S bond lengths are 2.31 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Hg2+ atoms. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Hg2+ and one As3+ atom. Cl1- is bonded in a 3-coordinate geometry to three equivalent Hg2+ atoms.

Publication Date:
Other Number(s):
mp-559355
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; Hg3AsS4Cl; As-Cl-Hg-S
OSTI Identifier:
1270820
DOI:
10.17188/1270820

Citation Formats

The Materials Project. Materials Data on Hg3AsS4Cl by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1270820.
The Materials Project. Materials Data on Hg3AsS4Cl by Materials Project. United States. doi:10.17188/1270820.
The Materials Project. 2020. "Materials Data on Hg3AsS4Cl by Materials Project". United States. doi:10.17188/1270820. https://www.osti.gov/servlets/purl/1270820. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1270820,
title = {Materials Data on Hg3AsS4Cl by Materials Project},
author = {The Materials Project},
abstractNote = {Hg3AsS4Cl crystallizes in the hexagonal P6_3mc space group. The structure is two-dimensional and consists of two Hg3AsS4Cl sheets oriented in the (0, 0, 1) direction. Hg2+ is bonded to three S2- and one Cl1- atom to form a mixture of distorted edge and corner-sharing HgS3Cl trigonal pyramids. There are one shorter (2.50 Å) and two longer (2.58 Å) Hg–S bond lengths. The Hg–Cl bond length is 2.96 Å. As3+ is bonded in a distorted T-shaped geometry to three equivalent S2- atoms. All As–S bond lengths are 2.31 Å. There are two inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Hg2+ atoms. In the second S2- site, S2- is bonded in a distorted trigonal non-coplanar geometry to two equivalent Hg2+ and one As3+ atom. Cl1- is bonded in a 3-coordinate geometry to three equivalent Hg2+ atoms.},
doi = {10.17188/1270820},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: