Materials Data on TlBiTe2 by Materials Project
Abstract
TlBiTe2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Tl1+ is bonded to six Te2- atoms to form TlTe6 octahedra that share corners with six equivalent TlTe6 octahedra, edges with four equivalent TlTe6 octahedra, and edges with eight equivalent BiTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (3.24 Å) and four longer (3.25 Å) Tl–Te bond lengths. Bi3+ is bonded to six Te2- atoms to form BiTe6 octahedra that share corners with six equivalent BiTe6 octahedra, edges with four equivalent BiTe6 octahedra, and edges with eight equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (3.24 Å) and four longer (3.25 Å) Bi–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Tl1+ and four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing TeTl2Bi4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Te2- site, Te2- is bonded to four equivalent Tl1+ and two equivalent Bi3+ atoms to form TeTl4Bi2 octahedra that share corners with six equivalent TeTl4Bi2 octahedra and edges with twelve TeTl2Bi4 octahedra. The corner-sharing octahedralmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1216532
- 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; TlBiTe2; Bi-Te-Tl
- OSTI Identifier:
- 1751001
- DOI:
- https://doi.org/10.17188/1751001
Citation Formats
The Materials Project. Materials Data on TlBiTe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1751001.
The Materials Project. Materials Data on TlBiTe2 by Materials Project. United States. doi:https://doi.org/10.17188/1751001
The Materials Project. 2020.
"Materials Data on TlBiTe2 by Materials Project". United States. doi:https://doi.org/10.17188/1751001. https://www.osti.gov/servlets/purl/1751001. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1751001,
title = {Materials Data on TlBiTe2 by Materials Project},
author = {The Materials Project},
abstractNote = {TlBiTe2 is Caswellsilverite-like structured and crystallizes in the orthorhombic Pmmm space group. The structure is three-dimensional. Tl1+ is bonded to six Te2- atoms to form TlTe6 octahedra that share corners with six equivalent TlTe6 octahedra, edges with four equivalent TlTe6 octahedra, and edges with eight equivalent BiTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (3.24 Å) and four longer (3.25 Å) Tl–Te bond lengths. Bi3+ is bonded to six Te2- atoms to form BiTe6 octahedra that share corners with six equivalent BiTe6 octahedra, edges with four equivalent BiTe6 octahedra, and edges with eight equivalent TlTe6 octahedra. The corner-sharing octahedral tilt angles are 0°. There are two shorter (3.24 Å) and four longer (3.25 Å) Bi–Te bond lengths. There are two inequivalent Te2- sites. In the first Te2- site, Te2- is bonded to two equivalent Tl1+ and four equivalent Bi3+ atoms to form a mixture of edge and corner-sharing TeTl2Bi4 octahedra. The corner-sharing octahedral tilt angles are 0°. In the second Te2- site, Te2- is bonded to four equivalent Tl1+ and two equivalent Bi3+ atoms to form TeTl4Bi2 octahedra that share corners with six equivalent TeTl4Bi2 octahedra and edges with twelve TeTl2Bi4 octahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1751001},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}