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Title: Materials Data on Sm4U2O11 by Materials Project

Abstract

U2Sm4O11 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. U5+ is bonded in a 8-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.16–2.42 Å. There are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.30–2.46 Å. In the second Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.29–2.46 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra. In the second O2- site, O2- is bonded to one U5+ and three Sm3+ atoms to form distorted OSm3U tetrahedra that share corners with ten OSm4 tetrahedra and edges with five OSm3U tetrahedra. In the third O2- site, O2- is bonded to two equivalent U5+ and two Sm3+ atoms to form a mixture of edge and corner-sharing OSm2U2 tetrahedra. In the fourth O2- site, O2- is bonded to two equivalent U5+ and two equivalent Sm3+more » atoms to form OSm2U2 tetrahedra that share corners with eight OSm3U tetrahedra and edges with six OSm2U2 tetrahedra. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one U5+ and two Sm3+ atoms. In the sixth O2- site, O2- is bonded to two equivalent U5+ and two equivalent Sm3+ atoms to form OSm2U2 tetrahedra that share corners with twelve OSm4 tetrahedra and edges with four OSm3U tetrahedra. In the seventh O2- site, O2- is bonded to one U5+ and three Sm3+ atoms to form OSm3U tetrahedra that share corners with ten OSm4 tetrahedra and edges with five OSm2U2 tetrahedra.« less

Publication Date:
Other Number(s):
mp-756152
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; Sm4U2O11; O-Sm-U
OSTI Identifier:
1290423
DOI:
10.17188/1290423

Citation Formats

The Materials Project. Materials Data on Sm4U2O11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1290423.
The Materials Project. Materials Data on Sm4U2O11 by Materials Project. United States. doi:10.17188/1290423.
The Materials Project. 2020. "Materials Data on Sm4U2O11 by Materials Project". United States. doi:10.17188/1290423. https://www.osti.gov/servlets/purl/1290423. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1290423,
title = {Materials Data on Sm4U2O11 by Materials Project},
author = {The Materials Project},
abstractNote = {U2Sm4O11 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. U5+ is bonded in a 8-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.16–2.42 Å. There are two inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.30–2.46 Å. In the second Sm3+ site, Sm3+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sm–O bond distances ranging from 2.29–2.46 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of edge and corner-sharing OSm4 tetrahedra. In the second O2- site, O2- is bonded to one U5+ and three Sm3+ atoms to form distorted OSm3U tetrahedra that share corners with ten OSm4 tetrahedra and edges with five OSm3U tetrahedra. In the third O2- site, O2- is bonded to two equivalent U5+ and two Sm3+ atoms to form a mixture of edge and corner-sharing OSm2U2 tetrahedra. In the fourth O2- site, O2- is bonded to two equivalent U5+ and two equivalent Sm3+ atoms to form OSm2U2 tetrahedra that share corners with eight OSm3U tetrahedra and edges with six OSm2U2 tetrahedra. In the fifth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to one U5+ and two Sm3+ atoms. In the sixth O2- site, O2- is bonded to two equivalent U5+ and two equivalent Sm3+ atoms to form OSm2U2 tetrahedra that share corners with twelve OSm4 tetrahedra and edges with four OSm3U tetrahedra. In the seventh O2- site, O2- is bonded to one U5+ and three Sm3+ atoms to form OSm3U tetrahedra that share corners with ten OSm4 tetrahedra and edges with five OSm2U2 tetrahedra.},
doi = {10.17188/1290423},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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