U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on K2Se4N by Materials Project
Abstract
(KSe2)4N2 crystallizes in the monoclinic Cc space group. The structure is three-dimensional and consists of four ammonia molecules and one KSe2 framework. In the KSe2 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 4-coordinate geometry to six Se+1.75- atoms. There are a spread of K–Se bond distances ranging from 3.31–3.88 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Se+1.75- atoms. There are a spread of K–Se bond distances ranging from 3.27–3.88 Å. There are four inequivalent Se+1.75- sites. In the first Se+1.75- site, Se+1.75- is bonded in a 5-coordinate geometry to four K1+ and one Se+1.75- atom. The Se–Se bond length is 2.37 Å. In the second Se+1.75- site, Se+1.75- is bonded in a 5-coordinate geometry to three K1+ and two Se+1.75- atoms. The Se–Se bond length is 2.38 Å. In the third Se+1.75- site, Se+1.75- is bonded in a 5-coordinate geometry to four K1+ and one Se+1.75- atom. The Se–Se bond length is 2.36 Å. In the fourth Se+1.75- site, Se+1.75- is bonded in a 3-coordinate geometry to two equivalent K1+ and two Se+1.75- atoms.
- Publication Date:
- Other Number(s):
- mp-1103551
- 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-N-Se; K2Se4N; crystal structure
- OSTI Identifier:
- 1675844
- DOI:
- https://doi.org/10.17188/1675844
Citation Formats
Materials Data on K2Se4N by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1675844.
Materials Data on K2Se4N by Materials Project. United States. doi:https://doi.org/10.17188/1675844
2020.
"Materials Data on K2Se4N by Materials Project". United States. doi:https://doi.org/10.17188/1675844. https://www.osti.gov/servlets/purl/1675844. Pub date:Sun May 03 04:00:00 UTC 2020
@article{osti_1675844,
title = {Materials Data on K2Se4N by Materials Project},
abstractNote = {(KSe2)4N2 crystallizes in the monoclinic Cc space group. The structure is three-dimensional and consists of four ammonia molecules and one KSe2 framework. In the KSe2 framework, there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 4-coordinate geometry to six Se+1.75- atoms. There are a spread of K–Se bond distances ranging from 3.31–3.88 Å. In the second K1+ site, K1+ is bonded in a 7-coordinate geometry to seven Se+1.75- atoms. There are a spread of K–Se bond distances ranging from 3.27–3.88 Å. There are four inequivalent Se+1.75- sites. In the first Se+1.75- site, Se+1.75- is bonded in a 5-coordinate geometry to four K1+ and one Se+1.75- atom. The Se–Se bond length is 2.37 Å. In the second Se+1.75- site, Se+1.75- is bonded in a 5-coordinate geometry to three K1+ and two Se+1.75- atoms. The Se–Se bond length is 2.38 Å. In the third Se+1.75- site, Se+1.75- is bonded in a 5-coordinate geometry to four K1+ and one Se+1.75- atom. The Se–Se bond length is 2.36 Å. In the fourth Se+1.75- site, Se+1.75- is bonded in a 3-coordinate geometry to two equivalent K1+ and two Se+1.75- atoms.},
doi = {10.17188/1675844},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}