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

Title: Materials Data on U5O11 by Materials Project

Abstract

U5O11 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are five inequivalent U+4.40+ sites. In the first U+4.40+ site, U+4.40+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of U–O bond distances ranging from 2.17–2.72 Å. In the second U+4.40+ site, U+4.40+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.17–2.54 Å. In the third U+4.40+ site, U+4.40+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.20–2.51 Å. In the fourth U+4.40+ site, U+4.40+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.17–2.54 Å. In the fifth U+4.40+ site, U+4.40+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of U–O bond distances ranging from 2.17–2.72 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four U+4.40+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four U+4.40+more » atoms. In the third O2- site, O2- is bonded to four U+4.40+ atoms to form a mixture of distorted edge and corner-sharing OU4 tetrahedra. In the fourth O2- site, O2- is bonded to four U+4.40+ atoms to form a mixture of distorted edge and corner-sharing OU4 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to four U+4.40+ atoms. In the sixth O2- site, O2- is bonded to four U+4.40+ atoms to form a mixture of distorted edge and corner-sharing OU4 tetrahedra. In the seventh O2- site, O2- is bonded to four U+4.40+ atoms to form a mixture of distorted edge and corner-sharing OU4 tetrahedra. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to four U+4.40+ atoms. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to four U+4.40+ atoms. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to four U+4.40+ atoms. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to four U+4.40+ atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-684934
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; U5O11; O-U
OSTI Identifier:
1284040
DOI:
10.17188/1284040

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on U5O11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1284040.
Persson, Kristin, & Project, Materials. Materials Data on U5O11 by Materials Project. United States. doi:10.17188/1284040.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on U5O11 by Materials Project". United States. doi:10.17188/1284040. https://www.osti.gov/servlets/purl/1284040. Pub date:Wed Jul 22 00:00:00 EDT 2020
@article{osti_1284040,
title = {Materials Data on U5O11 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {U5O11 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are five inequivalent U+4.40+ sites. In the first U+4.40+ site, U+4.40+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of U–O bond distances ranging from 2.17–2.72 Å. In the second U+4.40+ site, U+4.40+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.17–2.54 Å. In the third U+4.40+ site, U+4.40+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.20–2.51 Å. In the fourth U+4.40+ site, U+4.40+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.17–2.54 Å. In the fifth U+4.40+ site, U+4.40+ is bonded in a 10-coordinate geometry to ten O2- atoms. There are a spread of U–O bond distances ranging from 2.17–2.72 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to four U+4.40+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to four U+4.40+ atoms. In the third O2- site, O2- is bonded to four U+4.40+ atoms to form a mixture of distorted edge and corner-sharing OU4 tetrahedra. In the fourth O2- site, O2- is bonded to four U+4.40+ atoms to form a mixture of distorted edge and corner-sharing OU4 tetrahedra. In the fifth O2- site, O2- is bonded in a 4-coordinate geometry to four U+4.40+ atoms. In the sixth O2- site, O2- is bonded to four U+4.40+ atoms to form a mixture of distorted edge and corner-sharing OU4 tetrahedra. In the seventh O2- site, O2- is bonded to four U+4.40+ atoms to form a mixture of distorted edge and corner-sharing OU4 tetrahedra. In the eighth O2- site, O2- is bonded in a 4-coordinate geometry to four U+4.40+ atoms. In the ninth O2- site, O2- is bonded in a 2-coordinate geometry to four U+4.40+ atoms. In the tenth O2- site, O2- is bonded in a 2-coordinate geometry to four U+4.40+ atoms. In the eleventh O2- site, O2- is bonded in a 4-coordinate geometry to four U+4.40+ atoms.},
doi = {10.17188/1284040},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: