Materials Data on PAuS4 by Materials Project
Abstract
AuPS4 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one AuPS4 ribbon oriented in the (-1, 1, 1) direction. there are two inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a square co-planar geometry to four S2- atoms. All Au–S bond lengths are 2.38 Å. In the second Au3+ site, Au3+ is bonded in a square co-planar geometry to four S2- atoms. All Au–S bond lengths are 2.38 Å. P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.05 Å) and three longer (2.06 Å) P–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted L-shaped geometry to one Au3+ and one P5+ atom. In the second S2- site, S2- is bonded in a distorted L-shaped geometry to one Au3+ and one P5+ atom. In the third S2- site, S2- is bonded in a distorted L-shaped geometry to one Au3+ and one P5+ atom. In the fourth S2- site, S2- is bonded in a distorted L-shaped geometry to one Au3+ and one P5+ atom.
- Authors:
- Publication Date:
- Other Number(s):
- mp-30938
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- 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)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; PAuS4; Au-P-S
- OSTI Identifier:
- 1205279
- DOI:
- https://doi.org/10.17188/1205279
Citation Formats
The Materials Project. Materials Data on PAuS4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1205279.
The Materials Project. Materials Data on PAuS4 by Materials Project. United States. doi:https://doi.org/10.17188/1205279
The Materials Project. 2020.
"Materials Data on PAuS4 by Materials Project". United States. doi:https://doi.org/10.17188/1205279. https://www.osti.gov/servlets/purl/1205279. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1205279,
title = {Materials Data on PAuS4 by Materials Project},
author = {The Materials Project},
abstractNote = {AuPS4 crystallizes in the triclinic P-1 space group. The structure is one-dimensional and consists of one AuPS4 ribbon oriented in the (-1, 1, 1) direction. there are two inequivalent Au3+ sites. In the first Au3+ site, Au3+ is bonded in a square co-planar geometry to four S2- atoms. All Au–S bond lengths are 2.38 Å. In the second Au3+ site, Au3+ is bonded in a square co-planar geometry to four S2- atoms. All Au–S bond lengths are 2.38 Å. P5+ is bonded in a tetrahedral geometry to four S2- atoms. There are one shorter (2.05 Å) and three longer (2.06 Å) P–S bond lengths. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded in a distorted L-shaped geometry to one Au3+ and one P5+ atom. In the second S2- site, S2- is bonded in a distorted L-shaped geometry to one Au3+ and one P5+ atom. In the third S2- site, S2- is bonded in a distorted L-shaped geometry to one Au3+ and one P5+ atom. In the fourth S2- site, S2- is bonded in a distorted L-shaped geometry to one Au3+ and one P5+ atom.},
doi = {10.17188/1205279},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Fri Jul 17 00:00:00 EDT 2020},
month = {Fri Jul 17 00:00:00 EDT 2020}
}