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Title: Materials Data on Sr2U4O11 by Materials Project

Abstract

Sr2U4O11 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.40–2.52 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–2.60 Å. There are four inequivalent U+4.50+ sites. In the first U+4.50+ site, U+4.50+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.27–2.39 Å. In the second U+4.50+ site, U+4.50+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.19–2.52 Å. In the third U+4.50+ site, U+4.50+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.12–2.50 Å. In the fourth U+4.50+ site, U+4.50+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.21–2.40 Å. There aremore » eleven inequivalent O2- sites. In the first O2- site, O2- is bonded to one Sr2+ and three U+4.50+ atoms to form distorted OSrU3 tetrahedra that share corners with fifteen OSrU3 tetrahedra and edges with six OU4 tetrahedra. In the second O2- site, O2- is bonded to three Sr2+ and one U+4.50+ atom to form OSr3U tetrahedra that share corners with sixteen OSr3U tetrahedra and edges with four OSrU3 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Sr2+ and two U+4.50+ atoms to form OSr2U2 tetrahedra that share corners with thirteen OSr3U tetrahedra and edges with five OSrU3 tetrahedra. In the fourth O2- site, O2- is bonded to one Sr2+ and three U+4.50+ atoms to form a mixture of corner and edge-sharing OSrU3 tetrahedra. In the fifth O2- site, O2- is bonded to four U+4.50+ atoms to form distorted OU4 tetrahedra that share corners with sixteen OSr3U tetrahedra and edges with six OSrU3 tetrahedra. In the sixth O2- site, O2- is bonded to one Sr2+ and three U+4.50+ atoms to form a mixture of distorted corner and edge-sharing OSrU3 tetrahedra. In the seventh O2- site, O2- is bonded to one Sr2+ and three U+4.50+ atoms to form OSrU3 tetrahedra that share corners with twelve OSrU3 tetrahedra and edges with six OSr2U2 tetrahedra. In the eighth O2- site, O2- is bonded to four U+4.50+ atoms to form distorted OU4 tetrahedra that share corners with fifteen OSrU3 tetrahedra and edges with six OSr2U2 tetrahedra. In the ninth O2- site, O2- is bonded to one Sr2+ and three U+4.50+ atoms to form OSrU3 tetrahedra that share corners with fifteen OSr3U tetrahedra and edges with six OSrU3 tetrahedra. In the tenth O2- site, O2- is bonded to two equivalent Sr2+ and two U+4.50+ atoms to form distorted OSr2U2 tetrahedra that share corners with fourteen OSrU3 tetrahedra and edges with six OU4 tetrahedra. In the eleventh O2- site, O2- is bonded to one Sr2+ and three U+4.50+ atoms to form a mixture of corner and edge-sharing OSrU3 tetrahedra.« less

Publication Date:
Other Number(s):
mp-760440
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; Sr2U4O11; O-Sr-U
OSTI Identifier:
1291640
DOI:
https://doi.org/10.17188/1291640

Citation Formats

The Materials Project. Materials Data on Sr2U4O11 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1291640.
The Materials Project. Materials Data on Sr2U4O11 by Materials Project. United States. doi:https://doi.org/10.17188/1291640
The Materials Project. 2020. "Materials Data on Sr2U4O11 by Materials Project". United States. doi:https://doi.org/10.17188/1291640. https://www.osti.gov/servlets/purl/1291640. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1291640,
title = {Materials Data on Sr2U4O11 by Materials Project},
author = {The Materials Project},
abstractNote = {Sr2U4O11 crystallizes in the triclinic P1 space group. The structure is three-dimensional. there are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a distorted hexagonal planar geometry to six O2- atoms. There are a spread of Sr–O bond distances ranging from 2.40–2.52 Å. In the second Sr2+ site, Sr2+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of Sr–O bond distances ranging from 2.44–2.60 Å. There are four inequivalent U+4.50+ sites. In the first U+4.50+ site, U+4.50+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.27–2.39 Å. In the second U+4.50+ site, U+4.50+ is bonded in a body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.19–2.52 Å. In the third U+4.50+ site, U+4.50+ is bonded in a distorted body-centered cubic geometry to eight O2- atoms. There are a spread of U–O bond distances ranging from 2.12–2.50 Å. In the fourth U+4.50+ site, U+4.50+ is bonded in a 7-coordinate geometry to seven O2- atoms. There are a spread of U–O bond distances ranging from 2.21–2.40 Å. There are eleven inequivalent O2- sites. In the first O2- site, O2- is bonded to one Sr2+ and three U+4.50+ atoms to form distorted OSrU3 tetrahedra that share corners with fifteen OSrU3 tetrahedra and edges with six OU4 tetrahedra. In the second O2- site, O2- is bonded to three Sr2+ and one U+4.50+ atom to form OSr3U tetrahedra that share corners with sixteen OSr3U tetrahedra and edges with four OSrU3 tetrahedra. In the third O2- site, O2- is bonded to two equivalent Sr2+ and two U+4.50+ atoms to form OSr2U2 tetrahedra that share corners with thirteen OSr3U tetrahedra and edges with five OSrU3 tetrahedra. In the fourth O2- site, O2- is bonded to one Sr2+ and three U+4.50+ atoms to form a mixture of corner and edge-sharing OSrU3 tetrahedra. In the fifth O2- site, O2- is bonded to four U+4.50+ atoms to form distorted OU4 tetrahedra that share corners with sixteen OSr3U tetrahedra and edges with six OSrU3 tetrahedra. In the sixth O2- site, O2- is bonded to one Sr2+ and three U+4.50+ atoms to form a mixture of distorted corner and edge-sharing OSrU3 tetrahedra. In the seventh O2- site, O2- is bonded to one Sr2+ and three U+4.50+ atoms to form OSrU3 tetrahedra that share corners with twelve OSrU3 tetrahedra and edges with six OSr2U2 tetrahedra. In the eighth O2- site, O2- is bonded to four U+4.50+ atoms to form distorted OU4 tetrahedra that share corners with fifteen OSrU3 tetrahedra and edges with six OSr2U2 tetrahedra. In the ninth O2- site, O2- is bonded to one Sr2+ and three U+4.50+ atoms to form OSrU3 tetrahedra that share corners with fifteen OSr3U tetrahedra and edges with six OSrU3 tetrahedra. In the tenth O2- site, O2- is bonded to two equivalent Sr2+ and two U+4.50+ atoms to form distorted OSr2U2 tetrahedra that share corners with fourteen OSrU3 tetrahedra and edges with six OU4 tetrahedra. In the eleventh O2- site, O2- is bonded to one Sr2+ and three U+4.50+ atoms to form a mixture of corner and edge-sharing OSrU3 tetrahedra.},
doi = {10.17188/1291640},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}