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Title: Materials Data on Sm6U3O17 by Materials Project

Abstract

U3Sm6O17 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent U+5.33+ sites. In the first U+5.33+ site, U+5.33+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.12–2.42 Å. In the second U+5.33+ site, U+5.33+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.23–2.39 Å. There are three inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.37–2.49 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 2.31–2.43 Å. In the third 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 2.32–2.43 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded to one U+5.33+ and three Sm3+ atoms to form a mixture of corner and edge-sharing OSm3U tetrahedra. In themore » second O2- site, O2- is bonded to one U+5.33+ and three Sm3+ atoms to form a mixture of corner and edge-sharing OSm3U tetrahedra. In the third O2- site, O2- is bonded to one U+5.33+ and three Sm3+ atoms to form OSm3U tetrahedra that share corners with thirteen OSm3U tetrahedra and edges with six OSm2U2 tetrahedra. In the fourth O2- site, O2- is bonded to two U+5.33+ and two Sm3+ atoms to form OSm2U2 tetrahedra that share corners with fifteen OSm3U tetrahedra and edges with six OSm2U2 tetrahedra. In the fifth O2- site, O2- is bonded to two U+5.33+ and two equivalent Sm3+ atoms to form OSm2U2 tetrahedra that share corners with sixteen OSm3U tetrahedra and edges with six OSm2U2 tetrahedra. In the sixth O2- site, O2- is bonded to two U+5.33+ and two equivalent Sm3+ atoms to form a mixture of corner and edge-sharing OSm2U2 tetrahedra. In the seventh O2- site, O2- is bonded to two U+5.33+ and two Sm3+ atoms to form a mixture of corner and edge-sharing OSm2U2 tetrahedra. In the eighth O2- site, O2- is bonded to one U+5.33+ and three Sm3+ atoms to form a mixture of corner and edge-sharing OSm3U tetrahedra. In the ninth O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra.« less

Authors:
Publication Date:
Other Number(s):
mp-1173414
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; Sm6U3O17; O-Sm-U
OSTI Identifier:
1676341
DOI:
https://doi.org/10.17188/1676341

Citation Formats

The Materials Project. Materials Data on Sm6U3O17 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1676341.
The Materials Project. Materials Data on Sm6U3O17 by Materials Project. United States. doi:https://doi.org/10.17188/1676341
The Materials Project. 2020. "Materials Data on Sm6U3O17 by Materials Project". United States. doi:https://doi.org/10.17188/1676341. https://www.osti.gov/servlets/purl/1676341. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1676341,
title = {Materials Data on Sm6U3O17 by Materials Project},
author = {The Materials Project},
abstractNote = {U3Sm6O17 crystallizes in the monoclinic C2 space group. The structure is three-dimensional. there are two inequivalent U+5.33+ sites. In the first U+5.33+ site, U+5.33+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.12–2.42 Å. In the second U+5.33+ site, U+5.33+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.23–2.39 Å. There are three inequivalent Sm3+ sites. In the first Sm3+ site, Sm3+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of Sm–O bond distances ranging from 2.37–2.49 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 2.31–2.43 Å. In the third 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 2.32–2.43 Å. There are nine inequivalent O2- sites. In the first O2- site, O2- is bonded to one U+5.33+ and three Sm3+ atoms to form a mixture of corner and edge-sharing OSm3U tetrahedra. In the second O2- site, O2- is bonded to one U+5.33+ and three Sm3+ atoms to form a mixture of corner and edge-sharing OSm3U tetrahedra. In the third O2- site, O2- is bonded to one U+5.33+ and three Sm3+ atoms to form OSm3U tetrahedra that share corners with thirteen OSm3U tetrahedra and edges with six OSm2U2 tetrahedra. In the fourth O2- site, O2- is bonded to two U+5.33+ and two Sm3+ atoms to form OSm2U2 tetrahedra that share corners with fifteen OSm3U tetrahedra and edges with six OSm2U2 tetrahedra. In the fifth O2- site, O2- is bonded to two U+5.33+ and two equivalent Sm3+ atoms to form OSm2U2 tetrahedra that share corners with sixteen OSm3U tetrahedra and edges with six OSm2U2 tetrahedra. In the sixth O2- site, O2- is bonded to two U+5.33+ and two equivalent Sm3+ atoms to form a mixture of corner and edge-sharing OSm2U2 tetrahedra. In the seventh O2- site, O2- is bonded to two U+5.33+ and two Sm3+ atoms to form a mixture of corner and edge-sharing OSm2U2 tetrahedra. In the eighth O2- site, O2- is bonded to one U+5.33+ and three Sm3+ atoms to form a mixture of corner and edge-sharing OSm3U tetrahedra. In the ninth O2- site, O2- is bonded to four Sm3+ atoms to form a mixture of corner and edge-sharing OSm4 tetrahedra.},
doi = {10.17188/1676341},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}