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Title: Materials Data on K2Se5 by Materials Project

Abstract

K2Se5 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Se+0.40- atoms. There are a spread of K–Se bond distances ranging from 3.41–3.75 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Se+0.40- atoms. There are a spread of K–Se bond distances ranging from 3.37–3.65 Å. There are five inequivalent Se+0.40- sites. In the first Se+0.40- site, Se+0.40- is bonded in a 4-coordinate geometry to one K1+ and three Se+0.40- atoms. There are a spread of Se–Se bond distances ranging from 2.40–3.10 Å. In the second Se+0.40- site, Se+0.40- is bonded in a 5-coordinate geometry to three K1+ and two Se+0.40- atoms. The Se–Se bond length is 2.42 Å. In the third Se+0.40- site, Se+0.40- is bonded in a 5-coordinate geometry to four K1+ and two Se+0.40- atoms. In the fourth Se+0.40- site, Se+0.40- is bonded in a 5-coordinate geometry to three K1+ and two Se+0.40- atoms. The Se–Se bond length is 2.36 Å. In the fifth Se+0.40- site, Se+0.40- is bonded in a 6-coordinate geometry tomore » five K1+ and one Se+0.40- atom.« less

Authors:
Publication Date:
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)
Contributing Org.:
MIT; UC Berkeley; Duke; U Louvain
OSTI Identifier:
1193267
Report Number(s):
mp-18609
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Resource Type:
Data
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; crystal structure; K2Se5; K-Se

Citation Formats

The Materials Project. Materials Data on K2Se5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1193267.
The Materials Project. Materials Data on K2Se5 by Materials Project. United States. https://doi.org/10.17188/1193267
The Materials Project. 2020. "Materials Data on K2Se5 by Materials Project". United States. https://doi.org/10.17188/1193267. https://www.osti.gov/servlets/purl/1193267.
@article{osti_1193267,
title = {Materials Data on K2Se5 by Materials Project},
author = {The Materials Project},
abstractNote = {K2Se5 is Magnesium tetraboride-like structured and crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. there are two inequivalent K1+ sites. In the first K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Se+0.40- atoms. There are a spread of K–Se bond distances ranging from 3.41–3.75 Å. In the second K1+ site, K1+ is bonded in a 8-coordinate geometry to eight Se+0.40- atoms. There are a spread of K–Se bond distances ranging from 3.37–3.65 Å. There are five inequivalent Se+0.40- sites. In the first Se+0.40- site, Se+0.40- is bonded in a 4-coordinate geometry to one K1+ and three Se+0.40- atoms. There are a spread of Se–Se bond distances ranging from 2.40–3.10 Å. In the second Se+0.40- site, Se+0.40- is bonded in a 5-coordinate geometry to three K1+ and two Se+0.40- atoms. The Se–Se bond length is 2.42 Å. In the third Se+0.40- site, Se+0.40- is bonded in a 5-coordinate geometry to four K1+ and two Se+0.40- atoms. In the fourth Se+0.40- site, Se+0.40- is bonded in a 5-coordinate geometry to three K1+ and two Se+0.40- atoms. The Se–Se bond length is 2.36 Å. In the fifth Se+0.40- site, Se+0.40- is bonded in a 6-coordinate geometry to five K1+ and one Se+0.40- atom.},
doi = {10.17188/1193267},
url = {https://www.osti.gov/biblio/1193267}, journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}