U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on CdAg2SnS4 by Materials Project
Abstract
Ag2CdSnS4 is Stannite-like structured and crystallizes in the monoclinic Pm 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 AgS4 tetrahedra, corners with four equivalent CdS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.49–2.62 Å. In the second Ag1+ site, Ag1+ is bonded to four S2- atoms to form AgS4 tetrahedra that share corners with four AgS4 tetrahedra, corners with four equivalent CdS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.52–2.69 Å. Cd2+ is bonded to four S2- atoms to form CdS4 tetrahedra that share corners with two equivalent CdS4 tetrahedra, corners with two equivalent SnS4 tetrahedra, and corners with eight AgS4 tetrahedra. There are a spread of Cd–S bond distances ranging from 2.49–2.63 Å. Sn4+ is bonded to four S2- atoms to form SnS4 tetrahedra that share corners with two equivalent CdS4 tetrahedra, corners with two equivalent SnS4 tetrahedra, and corners with eight AgS4 tetrahedra. There are a spread of Sn–S bond distancesmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1226773
- 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; CdAg2SnS4; Ag-Cd-S-Sn
- OSTI Identifier:
- 1682749
- DOI:
- https://doi.org/10.17188/1682749
Citation Formats
The Materials Project. Materials Data on CdAg2SnS4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1682749.
The Materials Project. Materials Data on CdAg2SnS4 by Materials Project. United States. doi:https://doi.org/10.17188/1682749
The Materials Project. 2020.
"Materials Data on CdAg2SnS4 by Materials Project". United States. doi:https://doi.org/10.17188/1682749. https://www.osti.gov/servlets/purl/1682749. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1682749,
title = {Materials Data on CdAg2SnS4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag2CdSnS4 is Stannite-like structured and crystallizes in the monoclinic Pm 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 AgS4 tetrahedra, corners with four equivalent CdS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.49–2.62 Å. In the second Ag1+ site, Ag1+ is bonded to four S2- atoms to form AgS4 tetrahedra that share corners with four AgS4 tetrahedra, corners with four equivalent CdS4 tetrahedra, and corners with four equivalent SnS4 tetrahedra. There are a spread of Ag–S bond distances ranging from 2.52–2.69 Å. Cd2+ is bonded to four S2- atoms to form CdS4 tetrahedra that share corners with two equivalent CdS4 tetrahedra, corners with two equivalent SnS4 tetrahedra, and corners with eight AgS4 tetrahedra. There are a spread of Cd–S bond distances ranging from 2.49–2.63 Å. Sn4+ is bonded to four S2- atoms to form SnS4 tetrahedra that share corners with two equivalent CdS4 tetrahedra, corners with two equivalent SnS4 tetrahedra, and corners with eight AgS4 tetrahedra. There are a spread of Sn–S bond distances ranging from 2.41–2.58 Å. There are four inequivalent S2- sites. In the first S2- site, S2- is bonded to two Ag1+ and two equivalent Sn4+ atoms to form corner-sharing SAg2Sn2 tetrahedra. In the second S2- site, S2- is bonded to two equivalent Ag1+, one Cd2+, and one Sn4+ atom to form corner-sharing SCdAg2Sn tetrahedra. In the third S2- site, S2- is bonded to two Ag1+ and two equivalent Cd2+ atoms to form corner-sharing SCd2Ag2 tetrahedra. In the fourth S2- site, S2- is bonded to two equivalent Ag1+, one Cd2+, and one Sn4+ atom to form corner-sharing SCdAg2Sn tetrahedra.},
doi = {10.17188/1682749},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}