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Title: Materials Data on U11O5 by Materials Project

Abstract

U11O5 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one U11O5 ribbon oriented in the (1, 0, 0) direction. there are eleven inequivalent U sites. In the first U site, U is bonded in a single-bond geometry to one O atom. The U–O bond length is 2.20 Å. In the second U site, U is bonded in an L-shaped geometry to two equivalent O atoms. Both U–O bond lengths are 2.24 Å. In the third U site, U is bonded in a linear geometry to two O atoms. There are one shorter (2.37 Å) and one longer (2.38 Å) U–O bond lengths. In the fourth U site, U is bonded in an L-shaped geometry to two equivalent O atoms. There are one shorter (2.28 Å) and one longer (2.33 Å) U–O bond lengths. In the fifth U site, U is bonded in a single-bond geometry to one O atom. The U–O bond length is 2.17 Å. In the sixth U site, U is bonded in a single-bond geometry to one O atom. The U–O bond length is 2.18 Å. In the seventh U site, U is bonded in an L-shaped geometry to two equivalentmore » O atoms. There are one shorter (2.28 Å) and one longer (2.30 Å) U–O bond lengths. In the eighth U site, U is bonded in a distorted linear geometry to two O atoms. There are one shorter (2.37 Å) and one longer (2.44 Å) U–O bond lengths. In the ninth U site, U is bonded in a 3-coordinate geometry to three O atoms. There are a spread of U–O bond distances ranging from 2.26–2.42 Å. In the tenth U site, U is bonded in a linear geometry to two O atoms. There are one shorter (2.17 Å) and one longer (2.18 Å) U–O bond lengths. In the eleventh U site, U is bonded in an L-shaped geometry to two equivalent O atoms. There are one shorter (2.34 Å) and one longer (2.41 Å) U–O bond lengths. There are five inequivalent O sites. In the first O site, O is bonded to four U atoms to form distorted corner-sharing OU4 tetrahedra. In the second O site, O is bonded to four U atoms to form corner-sharing OU4 trigonal pyramids. In the third O site, O is bonded in a rectangular see-saw-like geometry to four U atoms. In the fourth O site, O is bonded to four U atoms to form corner-sharing OU4 trigonal pyramids. In the fifth O site, O is bonded in a rectangular see-saw-like geometry to four U atoms.« less

Publication Date:
Other Number(s):
mp-673671
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; U11O5; O-U
OSTI Identifier:
1282379
DOI:
10.17188/1282379

Citation Formats

The Materials Project. Materials Data on U11O5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1282379.
The Materials Project. Materials Data on U11O5 by Materials Project. United States. doi:10.17188/1282379.
The Materials Project. 2020. "Materials Data on U11O5 by Materials Project". United States. doi:10.17188/1282379. https://www.osti.gov/servlets/purl/1282379. Pub date:Thu Apr 30 00:00:00 EDT 2020
@article{osti_1282379,
title = {Materials Data on U11O5 by Materials Project},
author = {The Materials Project},
abstractNote = {U11O5 crystallizes in the triclinic P1 space group. The structure is one-dimensional and consists of one U11O5 ribbon oriented in the (1, 0, 0) direction. there are eleven inequivalent U sites. In the first U site, U is bonded in a single-bond geometry to one O atom. The U–O bond length is 2.20 Å. In the second U site, U is bonded in an L-shaped geometry to two equivalent O atoms. Both U–O bond lengths are 2.24 Å. In the third U site, U is bonded in a linear geometry to two O atoms. There are one shorter (2.37 Å) and one longer (2.38 Å) U–O bond lengths. In the fourth U site, U is bonded in an L-shaped geometry to two equivalent O atoms. There are one shorter (2.28 Å) and one longer (2.33 Å) U–O bond lengths. In the fifth U site, U is bonded in a single-bond geometry to one O atom. The U–O bond length is 2.17 Å. In the sixth U site, U is bonded in a single-bond geometry to one O atom. The U–O bond length is 2.18 Å. In the seventh U site, U is bonded in an L-shaped geometry to two equivalent O atoms. There are one shorter (2.28 Å) and one longer (2.30 Å) U–O bond lengths. In the eighth U site, U is bonded in a distorted linear geometry to two O atoms. There are one shorter (2.37 Å) and one longer (2.44 Å) U–O bond lengths. In the ninth U site, U is bonded in a 3-coordinate geometry to three O atoms. There are a spread of U–O bond distances ranging from 2.26–2.42 Å. In the tenth U site, U is bonded in a linear geometry to two O atoms. There are one shorter (2.17 Å) and one longer (2.18 Å) U–O bond lengths. In the eleventh U site, U is bonded in an L-shaped geometry to two equivalent O atoms. There are one shorter (2.34 Å) and one longer (2.41 Å) U–O bond lengths. There are five inequivalent O sites. In the first O site, O is bonded to four U atoms to form distorted corner-sharing OU4 tetrahedra. In the second O site, O is bonded to four U atoms to form corner-sharing OU4 trigonal pyramids. In the third O site, O is bonded in a rectangular see-saw-like geometry to four U atoms. In the fourth O site, O is bonded to four U atoms to form corner-sharing OU4 trigonal pyramids. In the fifth O site, O is bonded in a rectangular see-saw-like geometry to four U atoms.},
doi = {10.17188/1282379},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}

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