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Title: Materials Data on U(IO4)2 by Materials Project

Abstract

U(O4I)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded to eight O2- atoms to form distorted edge-sharing UO8 hexagonal bipyramids. There are a spread of U–O bond distances ranging from 1.82–2.51 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one U6+ and one I5+ atom. The O–I bond length is 2.79 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one U6+ and two equivalent I5+ atoms. There are one shorter (1.86 Å) and one longer (2.55 Å) O–I bond lengths. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U6+ and one I5+ atom. The O–I bond length is 1.89 Å. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent I5+ atoms. There are one shorter (1.81 Å) and one longer (2.48 Å) O–I bond lengths. I5+ is bonded in a 6-coordinate geometry to six O2- atoms.

Authors:
Publication Date:
Other Number(s):
mp-30143
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; U(IO4)2; I-O-U
OSTI Identifier:
1204560
DOI:
https://doi.org/10.17188/1204560

Citation Formats

The Materials Project. Materials Data on U(IO4)2 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1204560.
The Materials Project. Materials Data on U(IO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1204560
The Materials Project. 2020. "Materials Data on U(IO4)2 by Materials Project". United States. doi:https://doi.org/10.17188/1204560. https://www.osti.gov/servlets/purl/1204560. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1204560,
title = {Materials Data on U(IO4)2 by Materials Project},
author = {The Materials Project},
abstractNote = {U(O4I)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. U6+ is bonded to eight O2- atoms to form distorted edge-sharing UO8 hexagonal bipyramids. There are a spread of U–O bond distances ranging from 1.82–2.51 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a single-bond geometry to one U6+ and one I5+ atom. The O–I bond length is 2.79 Å. In the second O2- site, O2- is bonded in a 1-coordinate geometry to one U6+ and two equivalent I5+ atoms. There are one shorter (1.86 Å) and one longer (2.55 Å) O–I bond lengths. In the third O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent U6+ and one I5+ atom. The O–I bond length is 1.89 Å. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent I5+ atoms. There are one shorter (1.81 Å) and one longer (2.48 Å) O–I bond lengths. I5+ is bonded in a 6-coordinate geometry to six O2- atoms.},
doi = {10.17188/1204560},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}