U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ag3SI by Materials Project
Abstract
Ag3SI is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two equivalent S2- and four equivalent I1- atoms. There are one shorter (2.57 Å) and one longer (2.59 Å) Ag–S bond lengths. There are a spread of Ag–I bond distances ranging from 3.28–3.63 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent I1- atoms. Both Ag–S bond lengths are 2.61 Å. There are one shorter (2.98 Å) and one longer (3.13 Å) Ag–I bond lengths. In the third Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to two equivalent S2- and three equivalent I1- atoms. There are one shorter (2.54 Å) and one longer (2.56 Å) Ag–S bond lengths. There are a spread of Ag–I bond distances ranging from 2.98–3.64 Å. S2- is bonded in a 6-coordinate geometry to six Ag1+ atoms. I1- is bonded in a 9-coordinate geometry to nine Ag1+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-632480
- 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; Ag3SI; Ag-I-S
- OSTI Identifier:
- 1279317
- DOI:
- https://doi.org/10.17188/1279317
Citation Formats
The Materials Project. Materials Data on Ag3SI by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1279317.
The Materials Project. Materials Data on Ag3SI by Materials Project. United States. doi:https://doi.org/10.17188/1279317
The Materials Project. 2020.
"Materials Data on Ag3SI by Materials Project". United States. doi:https://doi.org/10.17188/1279317. https://www.osti.gov/servlets/purl/1279317. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1279317,
title = {Materials Data on Ag3SI by Materials Project},
author = {The Materials Project},
abstractNote = {Ag3SI is Pb (Zr_0.50 Ti_0.48) O_3 structured and crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are three inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to two equivalent S2- and four equivalent I1- atoms. There are one shorter (2.57 Å) and one longer (2.59 Å) Ag–S bond lengths. There are a spread of Ag–I bond distances ranging from 3.28–3.63 Å. In the second Ag1+ site, Ag1+ is bonded in a 4-coordinate geometry to two equivalent S2- and two equivalent I1- atoms. Both Ag–S bond lengths are 2.61 Å. There are one shorter (2.98 Å) and one longer (3.13 Å) Ag–I bond lengths. In the third Ag1+ site, Ag1+ is bonded in a 3-coordinate geometry to two equivalent S2- and three equivalent I1- atoms. There are one shorter (2.54 Å) and one longer (2.56 Å) Ag–S bond lengths. There are a spread of Ag–I bond distances ranging from 2.98–3.64 Å. S2- is bonded in a 6-coordinate geometry to six Ag1+ atoms. I1- is bonded in a 9-coordinate geometry to nine Ag1+ atoms.},
doi = {10.17188/1279317},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 23 00:00:00 EDT 2020},
month = {Thu Jul 23 00:00:00 EDT 2020}
}