DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on KUHSeO7 by Materials Project

Abstract

KUHSeO7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.70–3.43 Å. U6+ is bonded in a 6-coordinate geometry to one H1+ and six O2- atoms. The U–H bond length is 2.77 Å. There are a spread of U–O bond distances ranging from 1.82–2.41 Å. H1+ is bonded in a distorted single-bond geometry to one U6+ atom. Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.64–1.71 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one Se6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Se6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to two equivalent K1+ and one U6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent U6+ atoms. In the fifth O2- site, O2- is bonded in amore » 2-coordinate geometry to two equivalent K1+, one U6+, and one Se6+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Se6+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one U6+ atom.« less

Authors:
Publication Date:
Other Number(s):
mp-1211927
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; KUHSeO7; H-K-O-Se-U
OSTI Identifier:
1748051
DOI:
https://doi.org/10.17188/1748051

Citation Formats

The Materials Project. Materials Data on KUHSeO7 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1748051.
The Materials Project. Materials Data on KUHSeO7 by Materials Project. United States. doi:https://doi.org/10.17188/1748051
The Materials Project. 2020. "Materials Data on KUHSeO7 by Materials Project". United States. doi:https://doi.org/10.17188/1748051. https://www.osti.gov/servlets/purl/1748051. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1748051,
title = {Materials Data on KUHSeO7 by Materials Project},
author = {The Materials Project},
abstractNote = {KUHSeO7 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to nine O2- atoms. There are a spread of K–O bond distances ranging from 2.70–3.43 Å. U6+ is bonded in a 6-coordinate geometry to one H1+ and six O2- atoms. The U–H bond length is 2.77 Å. There are a spread of U–O bond distances ranging from 1.82–2.41 Å. H1+ is bonded in a distorted single-bond geometry to one U6+ atom. Se6+ is bonded in a tetrahedral geometry to four O2- atoms. There are a spread of Se–O bond distances ranging from 1.64–1.71 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted bent 150 degrees geometry to one U6+ and one Se6+ atom. In the second O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Se6+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to two equivalent K1+ and one U6+ atom. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent U6+ atoms. In the fifth O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent K1+, one U6+, and one Se6+ atom. In the sixth O2- site, O2- is bonded in a 1-coordinate geometry to two equivalent K1+ and one Se6+ atom. In the seventh O2- site, O2- is bonded in a distorted single-bond geometry to one K1+ and one U6+ atom.},
doi = {10.17188/1748051},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}