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Title: Materials Data on La3U2O10 by Materials Project

Abstract

U2La3O10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent U+5.50+ sites. In the first U+5.50+ site, U+5.50+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.12–2.43 Å. In the second U+5.50+ site, U+5.50+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.10–2.44 Å. There are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.37–2.54 Å. In the second La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.35–2.57 Å. In the third La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.40–2.57 Å. In the fourth La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.51 Å. There aremore » ten inequivalent O2- sites. In the first O2- site, O2- is bonded to three U+5.50+ and one La3+ atom to form distorted OLaU3 tetrahedra that share corners with sixteen OLa3U tetrahedra and edges with six OLaU3 tetrahedra. In the second O2- site, O2- is bonded to one U+5.50+ and three La3+ atoms to form distorted OLa3U tetrahedra that share corners with sixteen OLaU3 tetrahedra and edges with six OLa3U tetrahedra. In the third O2- site, O2- is bonded to two U+5.50+ and two La3+ atoms to form a mixture of distorted edge and corner-sharing OLa2U2 tetrahedra. In the fourth O2- site, O2- is bonded to one U+5.50+ and three La3+ atoms to form a mixture of distorted edge and corner-sharing OLa3U tetrahedra. In the fifth O2- site, O2- is bonded to two U+5.50+ and two La3+ atoms to form distorted OLa2U2 tetrahedra that share corners with sixteen OLaU3 tetrahedra and edges with six OLa2U2 tetrahedra. In the sixth O2- site, O2- is bonded to one U+5.50+ and three La3+ atoms to form a mixture of distorted edge and corner-sharing OLa3U tetrahedra. In the seventh O2- site, O2- is bonded to three U+5.50+ and one La3+ atom to form a mixture of distorted edge and corner-sharing OLaU3 tetrahedra. In the eighth O2- site, O2- is bonded to one U+5.50+ and three La3+ atoms to form a mixture of distorted edge and corner-sharing OLa3U tetrahedra. In the ninth O2- site, O2- is bonded to four La3+ atoms to form OLa4 tetrahedra that share corners with sixteen OLaU3 tetrahedra and edges with six OLa2U2 tetrahedra. In the tenth O2- site, O2- is bonded to two equivalent U+5.50+ and two La3+ atoms to form OLa2U2 tetrahedra that share corners with sixteen OLaU3 tetrahedra and edges with six OLa3U tetrahedra.« less

Publication Date:
Other Number(s):
mp-673814
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; La3U2O10; La-O-U
OSTI Identifier:
1282404
DOI:
10.17188/1282404

Citation Formats

The Materials Project. Materials Data on La3U2O10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282404.
The Materials Project. Materials Data on La3U2O10 by Materials Project. United States. doi:10.17188/1282404.
The Materials Project. 2020. "Materials Data on La3U2O10 by Materials Project". United States. doi:10.17188/1282404. https://www.osti.gov/servlets/purl/1282404. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1282404,
title = {Materials Data on La3U2O10 by Materials Project},
author = {The Materials Project},
abstractNote = {U2La3O10 crystallizes in the triclinic P-1 space group. The structure is three-dimensional. there are two inequivalent U+5.50+ sites. In the first U+5.50+ site, U+5.50+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.12–2.43 Å. In the second U+5.50+ site, U+5.50+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.10–2.44 Å. There are four inequivalent La3+ sites. In the first La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.37–2.54 Å. In the second La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.35–2.57 Å. In the third La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.40–2.57 Å. In the fourth La3+ site, La3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of La–O bond distances ranging from 2.41–2.51 Å. There are ten inequivalent O2- sites. In the first O2- site, O2- is bonded to three U+5.50+ and one La3+ atom to form distorted OLaU3 tetrahedra that share corners with sixteen OLa3U tetrahedra and edges with six OLaU3 tetrahedra. In the second O2- site, O2- is bonded to one U+5.50+ and three La3+ atoms to form distorted OLa3U tetrahedra that share corners with sixteen OLaU3 tetrahedra and edges with six OLa3U tetrahedra. In the third O2- site, O2- is bonded to two U+5.50+ and two La3+ atoms to form a mixture of distorted edge and corner-sharing OLa2U2 tetrahedra. In the fourth O2- site, O2- is bonded to one U+5.50+ and three La3+ atoms to form a mixture of distorted edge and corner-sharing OLa3U tetrahedra. In the fifth O2- site, O2- is bonded to two U+5.50+ and two La3+ atoms to form distorted OLa2U2 tetrahedra that share corners with sixteen OLaU3 tetrahedra and edges with six OLa2U2 tetrahedra. In the sixth O2- site, O2- is bonded to one U+5.50+ and three La3+ atoms to form a mixture of distorted edge and corner-sharing OLa3U tetrahedra. In the seventh O2- site, O2- is bonded to three U+5.50+ and one La3+ atom to form a mixture of distorted edge and corner-sharing OLaU3 tetrahedra. In the eighth O2- site, O2- is bonded to one U+5.50+ and three La3+ atoms to form a mixture of distorted edge and corner-sharing OLa3U tetrahedra. In the ninth O2- site, O2- is bonded to four La3+ atoms to form OLa4 tetrahedra that share corners with sixteen OLaU3 tetrahedra and edges with six OLa2U2 tetrahedra. In the tenth O2- site, O2- is bonded to two equivalent U+5.50+ and two La3+ atoms to form OLa2U2 tetrahedra that share corners with sixteen OLaU3 tetrahedra and edges with six OLa3U tetrahedra.},
doi = {10.17188/1282404},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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