Materials Data on CuAg3S2 by Materials Project
Abstract
Ag3CuS2 is Pb(Zr_(1-x)Ti_x)O3-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to four equivalent S2- atoms. There are two shorter (2.58 Å) and two longer (2.99 Å) Ag–S bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to six equivalent S2- atoms. There are two shorter (2.53 Å) and four longer (3.13 Å) Ag–S bond lengths. Cu1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Cu–S bond lengths are 2.18 Å. S2- is bonded in a 4-coordinate geometry to seven Ag1+ and one Cu1+ atom.
- Publication Date:
- Other Number(s):
- mp-5725
- 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; CuAg3S2; Ag-Cu-S
- OSTI Identifier:
- 1276406
- DOI:
- 10.17188/1276406
Citation Formats
The Materials Project. Materials Data on CuAg3S2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1276406.
The Materials Project. Materials Data on CuAg3S2 by Materials Project. United States. doi:10.17188/1276406.
The Materials Project. 2020.
"Materials Data on CuAg3S2 by Materials Project". United States. doi:10.17188/1276406. https://www.osti.gov/servlets/purl/1276406. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1276406,
title = {Materials Data on CuAg3S2 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag3CuS2 is Pb(Zr_(1-x)Ti_x)O3-like structured and crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. there are two inequivalent Ag1+ sites. In the first Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to four equivalent S2- atoms. There are two shorter (2.58 Å) and two longer (2.99 Å) Ag–S bond lengths. In the second Ag1+ site, Ag1+ is bonded in a 2-coordinate geometry to six equivalent S2- atoms. There are two shorter (2.53 Å) and four longer (3.13 Å) Ag–S bond lengths. Cu1+ is bonded in a linear geometry to two equivalent S2- atoms. Both Cu–S bond lengths are 2.18 Å. S2- is bonded in a 4-coordinate geometry to seven Ag1+ and one Cu1+ atom.},
doi = {10.17188/1276406},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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