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Title: Materials Data on U5(PbO11)2 by Materials Project

Abstract

U5(PbO11)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent U sites. In the first U site, U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with three UO6 octahedra, edges with two UO6 octahedra, and an edgeedge with one UO7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 17–56°. There are a spread of U–O bond distances ranging from 1.87–2.47 Å. In the second U site, U is bonded to six O atoms to form distorted UO6 octahedra that share corners with three UO6 octahedra, corners with two equivalent UO7 pentagonal bipyramids, and an edgeedge with one UO7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 42–58°. There are a spread of U–O bond distances ranging from 1.89–2.25 Å. In the third U site, U is bonded to six O atoms to form UO6 octahedra that share corners with two equivalent UO6 octahedra, corners with two equivalent UO7 pentagonal bipyramids, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 42°. There are a spread of U–O bond distances ranging from 1.99–2.14 Å. Pb is bonded in a 6-coordinate geometrymore » to five O atoms. There are a spread of Pb–O bond distances ranging from 2.08–2.39 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to three U atoms. In the second O site, O is bonded in a trigonal planar geometry to three U atoms. In the third O site, O is bonded in a distorted linear geometry to two U atoms. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one U and one Pb atom. In the fifth O site, O is bonded in a distorted trigonal planar geometry to three U atoms. In the sixth O site, O is bonded in a single-bond geometry to one U atom. In the seventh O site, O is bonded in a single-bond geometry to one Pb atom. In the eighth O site, O is bonded in a single-bond geometry to one U atom. In the ninth O site, O is bonded in a single-bond geometry to one Pb atom. In the tenth O site, O is bonded in a distorted bent 150 degrees geometry to one U and one Pb atom. In the eleventh O site, O is bonded in a bent 150 degrees geometry to one U and one Pb atom.« less

Publication Date:
Other Number(s):
mp-1203291
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; U5(PbO11)2; O-Pb-U
OSTI Identifier:
1751030
DOI:
https://doi.org/10.17188/1751030

Citation Formats

The Materials Project. Materials Data on U5(PbO11)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1751030.
The Materials Project. Materials Data on U5(PbO11)2 by Materials Project. United States. doi:https://doi.org/10.17188/1751030
The Materials Project. 2020. "Materials Data on U5(PbO11)2 by Materials Project". United States. doi:https://doi.org/10.17188/1751030. https://www.osti.gov/servlets/purl/1751030. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1751030,
title = {Materials Data on U5(PbO11)2 by Materials Project},
author = {The Materials Project},
abstractNote = {U5(PbO11)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are three inequivalent U sites. In the first U site, U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with three UO6 octahedra, edges with two UO6 octahedra, and an edgeedge with one UO7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 17–56°. There are a spread of U–O bond distances ranging from 1.87–2.47 Å. In the second U site, U is bonded to six O atoms to form distorted UO6 octahedra that share corners with three UO6 octahedra, corners with two equivalent UO7 pentagonal bipyramids, and an edgeedge with one UO7 pentagonal bipyramid. The corner-sharing octahedra tilt angles range from 42–58°. There are a spread of U–O bond distances ranging from 1.89–2.25 Å. In the third U site, U is bonded to six O atoms to form UO6 octahedra that share corners with two equivalent UO6 octahedra, corners with two equivalent UO7 pentagonal bipyramids, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 42°. There are a spread of U–O bond distances ranging from 1.99–2.14 Å. Pb is bonded in a 6-coordinate geometry to five O atoms. There are a spread of Pb–O bond distances ranging from 2.08–2.39 Å. There are eleven inequivalent O sites. In the first O site, O is bonded in a distorted trigonal non-coplanar geometry to three U atoms. In the second O site, O is bonded in a trigonal planar geometry to three U atoms. In the third O site, O is bonded in a distorted linear geometry to two U atoms. In the fourth O site, O is bonded in a distorted bent 150 degrees geometry to one U and one Pb atom. In the fifth O site, O is bonded in a distorted trigonal planar geometry to three U atoms. In the sixth O site, O is bonded in a single-bond geometry to one U atom. In the seventh O site, O is bonded in a single-bond geometry to one Pb atom. In the eighth O site, O is bonded in a single-bond geometry to one U atom. In the ninth O site, O is bonded in a single-bond geometry to one Pb atom. In the tenth O site, O is bonded in a distorted bent 150 degrees geometry to one U and one Pb atom. In the eleventh O site, O is bonded in a bent 150 degrees geometry to one U and one Pb atom.},
doi = {10.17188/1751030},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}