U.S. Department of EnergyOffice of Scientific and Technical Information
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 »
- Publication Date:
- Other Number(s):
- mp-1202033
- 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; O-U; U3O10; crystal structure
- OSTI Identifier:
- 1733013
- DOI:
- https://doi.org/10.17188/1733013
Citation Formats
Materials Data on U3O10 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1733013.
Materials Data on U3O10 by Materials Project. United States. doi:https://doi.org/10.17188/1733013
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 04:00:00 UTC 2020
@article{osti_1733013,
title = {Materials Data on U3O10 by 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}
}