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Title: Materials Data on U3O10 by Materials Project

Abstract

U3O10 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 six O atoms to form distorted UO6 octahedra that share corners with four equivalent 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 55–66°. There are a spread of U–O bond distances ranging from 1.82–2.34 Å. In the second U site, U is bonded to six O atoms to form distorted UO6 octahedra that share corners with four equivalent UO6 octahedra, a cornercorner with one UO7 pentagonal bipyramid, and edges with two equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 55–66°. There are a spread of U–O bond distances ranging from 1.82–2.30 Å. In the third U site, U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with three UO6 octahedra, an edgeedge with one UO6 octahedra, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 11–45°. There are a spread of U–O bond distances ranging from 1.80–2.40 Å. There are ten inequivalentmore » O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three U atoms. In the second O site, O is bonded in a single-bond geometry to one U atom. 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 trigonal non-coplanar geometry to three U atoms. In the fifth O site, O is bonded in a single-bond geometry to one U atom. 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 U atom. In the eighth O site, O is bonded in a trigonal planar geometry to three U atoms. In the ninth O site, O is bonded in a single-bond geometry to one U atom. In the tenth O site, O is bonded in a distorted trigonal planar geometry to three U atoms.« less

Authors:
Publication Date:
Other Number(s):
mp-1202033
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; U3O10; O-U
OSTI Identifier:
1733013
DOI:
https://doi.org/10.17188/1733013

Citation Formats

The Materials Project. Materials Data on U3O10 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1733013.
The Materials Project. Materials Data on U3O10 by Materials Project. United States. doi:https://doi.org/10.17188/1733013
The Materials Project. 2020. "Materials Data on U3O10 by Materials Project". United States. doi:https://doi.org/10.17188/1733013. https://www.osti.gov/servlets/purl/1733013. Pub date:Wed Apr 29 00:00:00 EDT 2020
@article{osti_1733013,
title = {Materials Data on U3O10 by Materials Project},
author = {The Materials Project},
abstractNote = {U3O10 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 six O atoms to form distorted UO6 octahedra that share corners with four equivalent 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 55–66°. There are a spread of U–O bond distances ranging from 1.82–2.34 Å. In the second U site, U is bonded to six O atoms to form distorted UO6 octahedra that share corners with four equivalent UO6 octahedra, a cornercorner with one UO7 pentagonal bipyramid, and edges with two equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 55–66°. There are a spread of U–O bond distances ranging from 1.82–2.30 Å. In the third U site, U is bonded to seven O atoms to form distorted UO7 pentagonal bipyramids that share corners with three UO6 octahedra, an edgeedge with one UO6 octahedra, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 11–45°. There are a spread of U–O bond distances ranging from 1.80–2.40 Å. There are ten inequivalent O sites. In the first O site, O is bonded in a trigonal non-coplanar geometry to three U atoms. In the second O site, O is bonded in a single-bond geometry to one U atom. 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 trigonal non-coplanar geometry to three U atoms. In the fifth O site, O is bonded in a single-bond geometry to one U atom. 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 U atom. In the eighth O site, O is bonded in a trigonal planar geometry to three U atoms. In the ninth O site, O is bonded in a single-bond geometry to one U atom. In the tenth O site, O is bonded in a distorted trigonal planar geometry to three U atoms.},
doi = {10.17188/1733013},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {4}
}