U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on U3O8 by Materials Project
Abstract
U3O8 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent U+5.33+ sites. In the first U+5.33+ site, U+5.33+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with four equivalent UO6 octahedra, corners with two equivalent UO7 pentagonal bipyramids, and edges with two equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 26–58°. There are a spread of U–O bond distances ranging from 2.08–2.58 Å. In the second U+5.33+ site, U+5.33+ is bonded to six O2- atoms to form distorted UO6 octahedra that share corners with five 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 3–59°. There are a spread of U–O bond distances ranging from 2.08–2.23 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three U+5.33+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent U+5.33+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two U+5.33+ atoms. In the fourth O2- site,more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1102356
- 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; U3O8; O-U
- OSTI Identifier:
- 1654884
- DOI:
- https://doi.org/10.17188/1654884
Citation Formats
The Materials Project. Materials Data on U3O8 by Materials Project. United States: N. p., 2018.
Web. doi:10.17188/1654884.
The Materials Project. Materials Data on U3O8 by Materials Project. United States. doi:https://doi.org/10.17188/1654884
The Materials Project. 2018.
"Materials Data on U3O8 by Materials Project". United States. doi:https://doi.org/10.17188/1654884. https://www.osti.gov/servlets/purl/1654884. Pub date:Wed Jul 18 00:00:00 EDT 2018
@article{osti_1654884,
title = {Materials Data on U3O8 by Materials Project},
author = {The Materials Project},
abstractNote = {U3O8 crystallizes in the orthorhombic Amm2 space group. The structure is three-dimensional. there are two inequivalent U+5.33+ sites. In the first U+5.33+ site, U+5.33+ is bonded to seven O2- atoms to form distorted UO7 pentagonal bipyramids that share corners with four equivalent UO6 octahedra, corners with two equivalent UO7 pentagonal bipyramids, and edges with two equivalent UO6 octahedra. The corner-sharing octahedra tilt angles range from 26–58°. There are a spread of U–O bond distances ranging from 2.08–2.58 Å. In the second U+5.33+ site, U+5.33+ is bonded to six O2- atoms to form distorted UO6 octahedra that share corners with five 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 3–59°. There are a spread of U–O bond distances ranging from 2.08–2.23 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to three U+5.33+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent U+5.33+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two U+5.33+ atoms. In the fourth O2- site, O2- is bonded in a trigonal planar geometry to three U+5.33+ atoms. In the fifth O2- site, O2- is bonded in a linear geometry to two equivalent U+5.33+ atoms.},
doi = {10.17188/1654884},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2018},
month = {7}
}