U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Cs3Te22 by Materials Project
Abstract
Cs3Te22 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a body-centered cubic geometry to eight equivalent Te+0.14- atoms. All Cs–Te bond lengths are 3.93 Å. In the second Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to sixteen Te+0.14- atoms. There are a spread of Cs–Te bond distances ranging from 4.13–4.37 Å. There are four inequivalent Te+0.14- sites. In the first Te+0.14- site, Te+0.14- is bonded in a 3-coordinate geometry to two equivalent Cs1+ and two equivalent Te+0.14- atoms. There are one shorter (2.82 Å) and one longer (2.84 Å) Te–Te bond lengths. In the second Te+0.14- site, Te+0.14- is bonded in a 6-coordinate geometry to two Cs1+ and four Te+0.14- atoms. There are one shorter (3.46 Å) and one longer (3.48 Å) Te–Te bond lengths. In the third Te+0.14- site, Te+0.14- is bonded in a 7-coordinate geometry to two equivalent Cs1+ and five Te+0.14- atoms. There are two shorter (3.01 Å) and one longer (3.11 Å) Te–Te bond lengths. In the fourth Te+0.14- site, Te+0.14- is bonded in a distorted octahedral geometry to six Te+0.14- atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1191593
- 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; Cs3Te22; Cs-Te
- OSTI Identifier:
- 1738537
- DOI:
- https://doi.org/10.17188/1738537
Citation Formats
The Materials Project. Materials Data on Cs3Te22 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738537.
The Materials Project. Materials Data on Cs3Te22 by Materials Project. United States. doi:https://doi.org/10.17188/1738537
The Materials Project. 2020.
"Materials Data on Cs3Te22 by Materials Project". United States. doi:https://doi.org/10.17188/1738537. https://www.osti.gov/servlets/purl/1738537. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1738537,
title = {Materials Data on Cs3Te22 by Materials Project},
author = {The Materials Project},
abstractNote = {Cs3Te22 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Cs1+ sites. In the first Cs1+ site, Cs1+ is bonded in a body-centered cubic geometry to eight equivalent Te+0.14- atoms. All Cs–Te bond lengths are 3.93 Å. In the second Cs1+ site, Cs1+ is bonded in a 12-coordinate geometry to sixteen Te+0.14- atoms. There are a spread of Cs–Te bond distances ranging from 4.13–4.37 Å. There are four inequivalent Te+0.14- sites. In the first Te+0.14- site, Te+0.14- is bonded in a 3-coordinate geometry to two equivalent Cs1+ and two equivalent Te+0.14- atoms. There are one shorter (2.82 Å) and one longer (2.84 Å) Te–Te bond lengths. In the second Te+0.14- site, Te+0.14- is bonded in a 6-coordinate geometry to two Cs1+ and four Te+0.14- atoms. There are one shorter (3.46 Å) and one longer (3.48 Å) Te–Te bond lengths. In the third Te+0.14- site, Te+0.14- is bonded in a 7-coordinate geometry to two equivalent Cs1+ and five Te+0.14- atoms. There are two shorter (3.01 Å) and one longer (3.11 Å) Te–Te bond lengths. In the fourth Te+0.14- site, Te+0.14- is bonded in a distorted octahedral geometry to six Te+0.14- atoms.},
doi = {10.17188/1738537},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}