Materials Data on U3O8 by Materials Project
U3O8 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. there are three inequivalent U+5.33+ sites. In the first U+5.33+ site, U+5.33+ is bonded to seven O2- atoms to form UO7 pentagonal bipyramids that share corners with two equivalent UO6 octahedra, corners with three equivalent UO7 pentagonal bipyramids, an edgeedge with one UO6 octahedra, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 37–49°. There are a spread of U–O bond distances ranging from 2.08–2.49 Å. In the second U+5.33+ site, U+5.33+ is bonded to six O2- atoms to form UO6 octahedra that share corners with two equivalent UO6 octahedra, corners with four UO7 pentagonal bipyramids, and edges with two UO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 0°. There are a spread of U–O bond distances ranging from 2.08–2.17 Å. In the third U+5.33+ site, U+5.33+ is bonded to seven O2- atoms to form UO7 pentagonal bipyramids that share corners with two equivalent UO6 octahedra, corners with three equivalent UO7 pentagonal bipyramids, an edgeedge with one UO6 octahedra, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 37–49°. There are a spread of U–O bond distances ranging from 2.08–2.48 Å. There are seven inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two U+5.33+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two U+5.33+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent 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 trigonal planar geometry to three U+5.33+ atoms. In the sixth O2- site, O2- is bonded in a 3-coordinate geometry to three U+5.33+ atoms. In the seventh O2- site, O2- is bonded in a 3-coordinate geometry to three U+5.33+ atoms.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1271140
- Report Number(s):
- mp-559906
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on U3O8 by Materials Project
Materials Data on U12Cd4H6C4O51 by Materials Project