Materials Data on TlCuS2 by Materials Project
Abstract
CuTlS2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and corners with eight equivalent TlS4 tetrahedra. All Cu–S bond lengths are 2.31 Å. Tl3+ is bonded to four equivalent S2- atoms to form TlS4 tetrahedra that share corners with four equivalent TlS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Tl–S bond lengths are 2.64 Å. S2- is bonded to two equivalent Cu1+ and two equivalent Tl3+ atoms to form corner-sharing STl2Cu2 tetrahedra.
- Authors:
- Publication Date:
- Other Number(s):
- mp-14089
- 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; TlCuS2; Cu-S-Tl
- OSTI Identifier:
- 1189949
- DOI:
- https://doi.org/10.17188/1189949
Citation Formats
The Materials Project. Materials Data on TlCuS2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1189949.
The Materials Project. Materials Data on TlCuS2 by Materials Project. United States. doi:https://doi.org/10.17188/1189949
The Materials Project. 2020.
"Materials Data on TlCuS2 by Materials Project". United States. doi:https://doi.org/10.17188/1189949. https://www.osti.gov/servlets/purl/1189949. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1189949,
title = {Materials Data on TlCuS2 by Materials Project},
author = {The Materials Project},
abstractNote = {CuTlS2 is Chalcopyrite structured and crystallizes in the tetragonal I-42d space group. The structure is three-dimensional. Cu1+ is bonded to four equivalent S2- atoms to form CuS4 tetrahedra that share corners with four equivalent CuS4 tetrahedra and corners with eight equivalent TlS4 tetrahedra. All Cu–S bond lengths are 2.31 Å. Tl3+ is bonded to four equivalent S2- atoms to form TlS4 tetrahedra that share corners with four equivalent TlS4 tetrahedra and corners with eight equivalent CuS4 tetrahedra. All Tl–S bond lengths are 2.64 Å. S2- is bonded to two equivalent Cu1+ and two equivalent Tl3+ atoms to form corner-sharing STl2Cu2 tetrahedra.},
doi = {10.17188/1189949},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Thu Jul 16 00:00:00 EDT 2020},
month = {Thu Jul 16 00:00:00 EDT 2020}
}
Save to My Library
You must Sign In or Create an Account in order to save documents to your library.