U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K5Se3 by Materials Project
Abstract
K5Se3 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six Se+1.67- atoms. There are a spread of K–Se bond distances ranging from 3.42–3.64 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six Se+1.67- atoms. There are a spread of K–Se bond distances ranging from 3.37–3.60 Å. In the third K1+ site, K1+ is bonded in a 4-coordinate geometry to four equivalent Se+1.67- atoms. All K–Se bond lengths are 3.23 Å. There are two inequivalent Se+1.67- sites. In the first Se+1.67- site, Se+1.67- is bonded in a 10-coordinate geometry to ten K1+ atoms. In the second Se+1.67- site, Se+1.67- is bonded in a 9-coordinate geometry to eight K1+ and one Se+1.67- atom. The Se–Se bond length is 2.44 Å.
- Publication Date:
- Other Number(s):
- mp-755633
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; K-Se; K5Se3; crystal structure
- OSTI Identifier:
- 1290113
- DOI:
- https://doi.org/10.17188/1290113
Citation Formats
Materials Data on K5Se3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1290113.
Materials Data on K5Se3 by Materials Project. United States. doi:https://doi.org/10.17188/1290113
2020.
"Materials Data on K5Se3 by Materials Project". United States. doi:https://doi.org/10.17188/1290113. https://www.osti.gov/servlets/purl/1290113. Pub date:Wed Apr 29 04:00:00 UTC 2020
@article{osti_1290113,
title = {Materials Data on K5Se3 by Materials Project},
abstractNote = {K5Se3 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are three inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 6-coordinate geometry to six Se+1.67- atoms. There are a spread of K–Se bond distances ranging from 3.42–3.64 Å. In the second K1+ site, K1+ is bonded in a 6-coordinate geometry to six Se+1.67- atoms. There are a spread of K–Se bond distances ranging from 3.37–3.60 Å. In the third K1+ site, K1+ is bonded in a 4-coordinate geometry to four equivalent Se+1.67- atoms. All K–Se bond lengths are 3.23 Å. There are two inequivalent Se+1.67- sites. In the first Se+1.67- site, Se+1.67- is bonded in a 10-coordinate geometry to ten K1+ atoms. In the second Se+1.67- site, Se+1.67- is bonded in a 9-coordinate geometry to eight K1+ and one Se+1.67- atom. The Se–Se bond length is 2.44 Å.},
doi = {10.17188/1290113},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}