U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on SnGeS3 by Materials Project
Abstract
SnGeS3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one SnGeS3 sheet oriented in the (0, 0, 1) direction. Sn2+ is bonded in a 4-coordinate geometry to five S2- atoms. There are a spread of Sn–S bond distances ranging from 2.63–3.25 Å. Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.22–2.26 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Sn2+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a water-like geometry to two equivalent Ge4+ atoms. In the third S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Sn2+ and one Ge4+ atom.
- Publication Date:
- Other Number(s):
- mp-5045
- 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; Ge-S-Sn; SnGeS3; crystal structure
- OSTI Identifier:
- 1261754
- DOI:
- https://doi.org/10.17188/1261754
Citation Formats
Materials Data on SnGeS3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1261754.
Materials Data on SnGeS3 by Materials Project. United States. doi:https://doi.org/10.17188/1261754
2020.
"Materials Data on SnGeS3 by Materials Project". United States. doi:https://doi.org/10.17188/1261754. https://www.osti.gov/servlets/purl/1261754. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1261754,
title = {Materials Data on SnGeS3 by Materials Project},
abstractNote = {SnGeS3 crystallizes in the monoclinic P2_1/c space group. The structure is two-dimensional and consists of one SnGeS3 sheet oriented in the (0, 0, 1) direction. Sn2+ is bonded in a 4-coordinate geometry to five S2- atoms. There are a spread of Sn–S bond distances ranging from 2.63–3.25 Å. Ge4+ is bonded to four S2- atoms to form corner-sharing GeS4 tetrahedra. There are a spread of Ge–S bond distances ranging from 2.22–2.26 Å. There are three inequivalent S2- sites. In the first S2- site, S2- is bonded in a 3-coordinate geometry to three equivalent Sn2+ and one Ge4+ atom. In the second S2- site, S2- is bonded in a water-like geometry to two equivalent Ge4+ atoms. In the third S2- site, S2- is bonded in a 3-coordinate geometry to two equivalent Sn2+ and one Ge4+ atom.},
doi = {10.17188/1261754},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}