U.S. Department of EnergyOffice of Scientific and Technical Information
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
- 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; As-Cl-Hg-S; Hg3AsS4Cl; crystal structure
- OSTI Identifier:
- 1270820
- DOI:
- https://doi.org/10.17188/1270820
Citation Formats
Materials Data on Hg3AsS4Cl by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1270820.
Materials Data on Hg3AsS4Cl by Materials Project. United States. doi:https://doi.org/10.17188/1270820
2020.
"Materials Data on Hg3AsS4Cl by Materials Project". United States. doi:https://doi.org/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},
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}
}