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Title: Materials Data on Nd3U2O10 by Materials Project

Abstract

U2Nd3O10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. 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 2.15–2.51 Å. There are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.40–2.48 Å. In the second Nd3+ site, Nd3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.45 Å) and four longer (2.46 Å) Nd–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent U+5.50+ and two equivalent Nd3+ atoms to form a mixture of edge and corner-sharing ONd2U2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent U+5.50+ and two Nd3+ atoms to form a mixture of distorted edge and corner-sharing ONd2U2 tetrahedra. In the third O2- site, O2- is bonded to one U+5.50+ and three Nd3+ atoms to form a mixture of edge and corner-sharing ONd3U tetrahedra.

Authors:
Publication Date:
Other Number(s):
mp-675770
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; Nd3U2O10; Nd-O-U
OSTI Identifier:
1282838
DOI:
https://doi.org/10.17188/1282838

Citation Formats

The Materials Project. Materials Data on Nd3U2O10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282838.
The Materials Project. Materials Data on Nd3U2O10 by Materials Project. United States. doi:https://doi.org/10.17188/1282838
The Materials Project. 2020. "Materials Data on Nd3U2O10 by Materials Project". United States. doi:https://doi.org/10.17188/1282838. https://www.osti.gov/servlets/purl/1282838. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1282838,
title = {Materials Data on Nd3U2O10 by Materials Project},
author = {The Materials Project},
abstractNote = {U2Nd3O10 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. 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 2.15–2.51 Å. There are two inequivalent Nd3+ sites. In the first Nd3+ site, Nd3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Nd–O bond distances ranging from 2.40–2.48 Å. In the second Nd3+ site, Nd3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are four shorter (2.45 Å) and four longer (2.46 Å) Nd–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent U+5.50+ and two equivalent Nd3+ atoms to form a mixture of edge and corner-sharing ONd2U2 tetrahedra. In the second O2- site, O2- is bonded to two equivalent U+5.50+ and two Nd3+ atoms to form a mixture of distorted edge and corner-sharing ONd2U2 tetrahedra. In the third O2- site, O2- is bonded to one U+5.50+ and three Nd3+ atoms to form a mixture of edge and corner-sharing ONd3U tetrahedra.},
doi = {10.17188/1282838},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}