U.S. Department of EnergyOffice of Scientific and Technical Information
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.
- Publication Date:
- Other Number(s):
- mp-30143
- DOE Contract Number:
- AC02-05CH11231
- Research Org.:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Collaborations:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE; I-O-U; U(IO4)2; crystal structure
- OSTI Identifier:
- 1204560
- DOI:
- https://doi.org/10.17188/1204560
Citation Formats
Materials Data on U(IO4)2 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1204560.
Materials Data on U(IO4)2 by Materials Project. United States. doi:https://doi.org/10.17188/1204560
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 04:00:00 UTC 2020
@article{osti_1204560,
title = {Materials Data on U(IO4)2 by 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}
}