U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ag3AsS4 by Materials Project
Abstract
Ag3AsS4 is Enargite structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four S2- atoms to form AgS4 tetrahedra that share corners with four equivalent AsS4 tetrahedra and corners with eight equivalent AgS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.57–2.60 Å. In the second Ag1+ site, Ag1+ is bonded to four S2- atoms to form AgS4 tetrahedra that share corners with four equivalent AsS4 tetrahedra and corners with eight AgS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.54–2.59 Å. As5+ is bonded to four S2- atoms to form AsS4 tetrahedra that share corners with twelve AgS4 tetrahedra. There are a spread of As–S bond distances ranging from 2.22–2.24 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to three Ag1+ and one As5+ atom to form corner-sharing SAg3As tetrahedra. In the second S2- site, S2- is bonded to three Ag1+ and one As5+ atom to form corner-sharing SAg3As tetrahedra. In the third S2- site, S2- is bonded to three Ag1+ and one As5+ atom to formmore »
- Publication Date:
- Other Number(s):
- mp-9538
- 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; Ag-As-S; Ag3AsS4; crystal structure
- OSTI Identifier:
- 1313317
- DOI:
- https://doi.org/10.17188/1313317
Citation Formats
Materials Data on Ag3AsS4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1313317.
Materials Data on Ag3AsS4 by Materials Project. United States. doi:https://doi.org/10.17188/1313317
2020.
"Materials Data on Ag3AsS4 by Materials Project". United States. doi:https://doi.org/10.17188/1313317. https://www.osti.gov/servlets/purl/1313317. Pub date:Sat Jul 18 00:00:00 EDT 2020
@article{osti_1313317,
title = {Materials Data on Ag3AsS4 by Materials Project},
abstractNote = {Ag3AsS4 is Enargite structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded to four S2- atoms to form AgS4 tetrahedra that share corners with four equivalent AsS4 tetrahedra and corners with eight equivalent AgS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.57–2.60 Å. In the second Ag1+ site, Ag1+ is bonded to four S2- atoms to form AgS4 tetrahedra that share corners with four equivalent AsS4 tetrahedra and corners with eight AgS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.54–2.59 Å. As5+ is bonded to four S2- atoms to form AsS4 tetrahedra that share corners with twelve AgS4 tetrahedra. There are a spread of As–S bond distances ranging from 2.22–2.24 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded to three Ag1+ and one As5+ atom to form corner-sharing SAg3As tetrahedra. In the second S2- site, S2- is bonded to three Ag1+ and one As5+ atom to form corner-sharing SAg3As tetrahedra. In the third S2- site, S2- is bonded to three Ag1+ and one As5+ atom to form corner-sharing SAg3As tetrahedra.},
doi = {10.17188/1313317},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}