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Title: Materials Data on KUVO6 by Materials Project

Abstract

KUVO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.81–3.20 Å. U6+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.84–2.39 Å. V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.64–1.95 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, two equivalent U6+, and one V5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one V5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one U6+ and two equivalent V5+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one U6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U6+ and one V5+ atom. Inmore » the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one U6+ atom.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-645555
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
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)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; KUVO6; K-O-U-V
OSTI Identifier:
1280556
DOI:
10.17188/1280556

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on KUVO6 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1280556.
Persson, Kristin, & Project, Materials. Materials Data on KUVO6 by Materials Project. United States. doi:10.17188/1280556.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on KUVO6 by Materials Project". United States. doi:10.17188/1280556. https://www.osti.gov/servlets/purl/1280556. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1280556,
title = {Materials Data on KUVO6 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {KUVO6 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. K1+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of K–O bond distances ranging from 2.81–3.20 Å. U6+ is bonded to seven O2- atoms to form a mixture of distorted corner and edge-sharing UO7 pentagonal bipyramids. There are a spread of U–O bond distances ranging from 1.84–2.39 Å. V5+ is bonded in a 5-coordinate geometry to five O2- atoms. There are a spread of V–O bond distances ranging from 1.64–1.95 Å. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded in a 1-coordinate geometry to one K1+, two equivalent U6+, and one V5+ atom. In the second O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one V5+ atom. In the third O2- site, O2- is bonded in a 3-coordinate geometry to one U6+ and two equivalent V5+ atoms. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one U6+ atom. In the fifth O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U6+ and one V5+ atom. In the sixth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent K1+ and one U6+ atom.},
doi = {10.17188/1280556},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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