Materials Data on TlBiS2 by Materials Project
Abstract
TlBiS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tl1+ is bonded to six equivalent S2- atoms to form TlS6 octahedra that share corners with six equivalent BiS6 octahedra, edges with six equivalent TlS6 octahedra, and edges with six equivalent BiS6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Tl–S bond lengths are 3.22 Å. Bi3+ is bonded to six equivalent S2- atoms to form BiS6 octahedra that share corners with six equivalent TlS6 octahedra, edges with six equivalent TlS6 octahedra, and edges with six equivalent BiS6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Bi–S bond lengths are 2.87 Å. S2- is bonded to three equivalent Tl1+ and three equivalent Bi3+ atoms to form a mixture of edge and corner-sharing STl3Bi3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-554310
- 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; TlBiS2; Bi-S-Tl
- OSTI Identifier:
- 1267846
- DOI:
- https://doi.org/10.17188/1267846
Citation Formats
The Materials Project. Materials Data on TlBiS2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1267846.
The Materials Project. Materials Data on TlBiS2 by Materials Project. United States. doi:https://doi.org/10.17188/1267846
The Materials Project. 2020.
"Materials Data on TlBiS2 by Materials Project". United States. doi:https://doi.org/10.17188/1267846. https://www.osti.gov/servlets/purl/1267846. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1267846,
title = {Materials Data on TlBiS2 by Materials Project},
author = {The Materials Project},
abstractNote = {TlBiS2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tl1+ is bonded to six equivalent S2- atoms to form TlS6 octahedra that share corners with six equivalent BiS6 octahedra, edges with six equivalent TlS6 octahedra, and edges with six equivalent BiS6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Tl–S bond lengths are 3.22 Å. Bi3+ is bonded to six equivalent S2- atoms to form BiS6 octahedra that share corners with six equivalent TlS6 octahedra, edges with six equivalent TlS6 octahedra, and edges with six equivalent BiS6 octahedra. The corner-sharing octahedral tilt angles are 9°. All Bi–S bond lengths are 2.87 Å. S2- is bonded to three equivalent Tl1+ and three equivalent Bi3+ atoms to form a mixture of edge and corner-sharing STl3Bi3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1267846},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Wed Jul 15 00:00:00 EDT 2020},
month = {Wed Jul 15 00:00:00 EDT 2020}
}