skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on U(HO)8 by Materials Project

Abstract

U(HO)8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. U is bonded to eight O atoms to form distorted edge-sharing UO8 hexagonal bipyramids. There are a spread of U–O bond distances ranging from 1.83–2.43 Å. There are four inequivalent H sites. In the first H site, H is bonded in a distorted linear geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.66 Å) H–O bond length. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the third H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the fourth H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.75 Å) H–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to two equivalent U, one H, and one O atom. The O–O bond length is 1.45 Å. In the second O site, O is bonded in a single-bond geometry to onemore » U atom. In the third O site, O is bonded in a distorted water-like geometry to one U and two H atoms. In the fourth O site, O is bonded in a distorted water-like geometry to three H atoms.« less

Authors:
Contributors:
Researcher:
Publication Date:
Other Number(s):
mp-698101
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; U(HO)8; H-O-U
OSTI Identifier:
1285285
DOI:
10.17188/1285285

Citation Formats

Persson, Kristin, and Project, Materials. Materials Data on U(HO)8 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1285285.
Persson, Kristin, & Project, Materials. Materials Data on U(HO)8 by Materials Project. United States. doi:10.17188/1285285.
Persson, Kristin, and Project, Materials. 2020. "Materials Data on U(HO)8 by Materials Project". United States. doi:10.17188/1285285. https://www.osti.gov/servlets/purl/1285285. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1285285,
title = {Materials Data on U(HO)8 by Materials Project},
author = {Persson, Kristin and Project, Materials},
abstractNote = {U(HO)8 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. U is bonded to eight O atoms to form distorted edge-sharing UO8 hexagonal bipyramids. There are a spread of U–O bond distances ranging from 1.83–2.43 Å. There are four inequivalent H sites. In the first H site, H is bonded in a distorted linear geometry to two O atoms. There is one shorter (1.01 Å) and one longer (1.66 Å) H–O bond length. In the second H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the third H site, H is bonded in a single-bond geometry to one O atom. The H–O bond length is 0.99 Å. In the fourth H site, H is bonded in a single-bond geometry to two O atoms. There is one shorter (1.00 Å) and one longer (1.75 Å) H–O bond length. There are four inequivalent O sites. In the first O site, O is bonded in a 4-coordinate geometry to two equivalent U, one H, and one O atom. The O–O bond length is 1.45 Å. 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 water-like geometry to one U and two H atoms. In the fourth O site, O is bonded in a distorted water-like geometry to three H atoms.},
doi = {10.17188/1285285},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: