Materials Data on TlBiSe2 by Materials Project
Abstract
TlBiSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tl1+ is bonded to six equivalent Se2- atoms to form TlSe6 octahedra that share corners with six equivalent BiSe6 octahedra, edges with six equivalent TlSe6 octahedra, and edges with six equivalent BiSe6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Tl–Se bond lengths are 3.30 Å. Bi3+ is bonded to six equivalent Se2- atoms to form BiSe6 octahedra that share corners with six equivalent TlSe6 octahedra, edges with six equivalent TlSe6 octahedra, and edges with six equivalent BiSe6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Bi–Se bond lengths are 2.99 Å. Se2- is bonded to three equivalent Tl1+ and three equivalent Bi3+ atoms to form a mixture of corner and edge-sharing SeTl3Bi3 octahedra. The corner-sharing octahedral tilt angles are 0°.
- Authors:
- Publication Date:
- Other Number(s):
- mp-29662
- 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; TlBiSe2; Bi-Se-Tl
- OSTI Identifier:
- 1204146
- DOI:
- https://doi.org/10.17188/1204146
Citation Formats
The Materials Project. Materials Data on TlBiSe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204146.
The Materials Project. Materials Data on TlBiSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1204146
The Materials Project. 2020.
"Materials Data on TlBiSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1204146. https://www.osti.gov/servlets/purl/1204146. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1204146,
title = {Materials Data on TlBiSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {TlBiSe2 is Caswellsilverite structured and crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Tl1+ is bonded to six equivalent Se2- atoms to form TlSe6 octahedra that share corners with six equivalent BiSe6 octahedra, edges with six equivalent TlSe6 octahedra, and edges with six equivalent BiSe6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Tl–Se bond lengths are 3.30 Å. Bi3+ is bonded to six equivalent Se2- atoms to form BiSe6 octahedra that share corners with six equivalent TlSe6 octahedra, edges with six equivalent TlSe6 octahedra, and edges with six equivalent BiSe6 octahedra. The corner-sharing octahedral tilt angles are 7°. All Bi–Se bond lengths are 2.99 Å. Se2- is bonded to three equivalent Tl1+ and three equivalent Bi3+ atoms to form a mixture of corner and edge-sharing SeTl3Bi3 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1204146},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}