Materials Data on TlAgSe2 by Materials Project
Abstract
AgTlSe2 crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Ag1+ is bonded in a distorted rectangular see-saw-like geometry to one Tl3+ and four Se2- atoms. The Ag–Tl bond length is 3.05 Å. There are two shorter (2.61 Å) and two longer (2.62 Å) Ag–Se bond lengths. There are two inequivalent Tl3+ sites. In the first Tl3+ site, Tl3+ is bonded in a trigonal planar geometry to three equivalent Ag1+ atoms. In the second Tl3+ site, Tl3+ is bonded to six Se2- atoms to form distorted face-sharing TlSe6 pentagonal pyramids. There are three shorter (3.02 Å) and three longer (3.03 Å) Tl–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Ag1+ and two equivalent Tl3+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Ag1+ and two equivalent Tl3+ atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-27944
- 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; TlAgSe2; Ag-Se-Tl
- OSTI Identifier:
- 1202098
- DOI:
- https://doi.org/10.17188/1202098
Citation Formats
The Materials Project. Materials Data on TlAgSe2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1202098.
The Materials Project. Materials Data on TlAgSe2 by Materials Project. United States. doi:https://doi.org/10.17188/1202098
The Materials Project. 2020.
"Materials Data on TlAgSe2 by Materials Project". United States. doi:https://doi.org/10.17188/1202098. https://www.osti.gov/servlets/purl/1202098. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1202098,
title = {Materials Data on TlAgSe2 by Materials Project},
author = {The Materials Project},
abstractNote = {AgTlSe2 crystallizes in the trigonal P-31m space group. The structure is three-dimensional. Ag1+ is bonded in a distorted rectangular see-saw-like geometry to one Tl3+ and four Se2- atoms. The Ag–Tl bond length is 3.05 Å. There are two shorter (2.61 Å) and two longer (2.62 Å) Ag–Se bond lengths. There are two inequivalent Tl3+ sites. In the first Tl3+ site, Tl3+ is bonded in a trigonal planar geometry to three equivalent Ag1+ atoms. In the second Tl3+ site, Tl3+ is bonded to six Se2- atoms to form distorted face-sharing TlSe6 pentagonal pyramids. There are three shorter (3.02 Å) and three longer (3.03 Å) Tl–Se bond lengths. There are two inequivalent Se2- sites. In the first Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Ag1+ and two equivalent Tl3+ atoms. In the second Se2- site, Se2- is bonded in a 4-coordinate geometry to two equivalent Ag1+ and two equivalent Tl3+ atoms.},
doi = {10.17188/1202098},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Mon Jul 20 00:00:00 EDT 2020},
month = {Mon Jul 20 00:00:00 EDT 2020}
}