U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ag2SnHgSe4 by Materials Project
Abstract
Ag2HgSnSe4 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Ag1+ is bonded to four Se2- atoms to form AgSe4 tetrahedra that share corners with four equivalent AgSe4 tetrahedra, corners with four equivalent HgSe4 tetrahedra, and corners with four equivalent SnSe4 tetrahedra. There are a spread of Ag–Se bond distances ranging from 2.66–2.70 Å. Hg2+ is bonded to four Se2- atoms to form HgSe4 tetrahedra that share corners with four equivalent SnSe4 tetrahedra and corners with eight equivalent AgSe4 tetrahedra. There are a spread of Hg–Se bond distances ranging from 2.69–2.76 Å. Sn4+ is bonded to four Se2- atoms to form SnSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and corners with eight equivalent AgSe4 tetrahedra. There are a spread of Sn–Se bond distances ranging from 2.59–2.61 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Ag1+, one Hg2+, and one Sn4+ atom to form corner-sharing SeAg2SnHg tetrahedra. In the second Se2- site, Se2- is bonded to two equivalent Ag1+, one Hg2+, and one Sn4+ atom to form corner-sharing SeAg2SnHg tetrahedra. In the third Se2- site, Se2- is bonded to two equivalent Ag1+,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-10963
- 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; Ag2SnHgSe4; Ag-Hg-Se-Sn
- OSTI Identifier:
- 1187484
- DOI:
- https://doi.org/10.17188/1187484
Citation Formats
The Materials Project. Materials Data on Ag2SnHgSe4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1187484.
The Materials Project. Materials Data on Ag2SnHgSe4 by Materials Project. United States. doi:https://doi.org/10.17188/1187484
The Materials Project. 2020.
"Materials Data on Ag2SnHgSe4 by Materials Project". United States. doi:https://doi.org/10.17188/1187484. https://www.osti.gov/servlets/purl/1187484. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1187484,
title = {Materials Data on Ag2SnHgSe4 by Materials Project},
author = {The Materials Project},
abstractNote = {Ag2HgSnSe4 is Stannite-like structured and crystallizes in the orthorhombic Pmn2_1 space group. The structure is three-dimensional. Ag1+ is bonded to four Se2- atoms to form AgSe4 tetrahedra that share corners with four equivalent AgSe4 tetrahedra, corners with four equivalent HgSe4 tetrahedra, and corners with four equivalent SnSe4 tetrahedra. There are a spread of Ag–Se bond distances ranging from 2.66–2.70 Å. Hg2+ is bonded to four Se2- atoms to form HgSe4 tetrahedra that share corners with four equivalent SnSe4 tetrahedra and corners with eight equivalent AgSe4 tetrahedra. There are a spread of Hg–Se bond distances ranging from 2.69–2.76 Å. Sn4+ is bonded to four Se2- atoms to form SnSe4 tetrahedra that share corners with four equivalent HgSe4 tetrahedra and corners with eight equivalent AgSe4 tetrahedra. There are a spread of Sn–Se bond distances ranging from 2.59–2.61 Å. There are three inequivalent Se2- sites. In the first Se2- site, Se2- is bonded to two equivalent Ag1+, one Hg2+, and one Sn4+ atom to form corner-sharing SeAg2SnHg tetrahedra. In the second Se2- site, Se2- is bonded to two equivalent Ag1+, one Hg2+, and one Sn4+ atom to form corner-sharing SeAg2SnHg tetrahedra. In the third Se2- site, Se2- is bonded to two equivalent Ag1+, one Hg2+, and one Sn4+ atom to form corner-sharing SeAg2SnHg tetrahedra.},
doi = {10.17188/1187484},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}