Materials Data on U3O8 by Materials Project
U3O8 crystallizes in the orthorhombic Cmcm 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 four equivalent UO6 octahedra, a cornercorner with one UO7 pentagonal bipyramid, an edgeedge with one UO6 octahedra, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedra tilt angles range from 4–42°. There are a spread of U–O bond distances ranging from 1.98–2.39 Å. In the second 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 UO7 pentagonal bipyramids, an edgeedge with one UO6 octahedra, and edges with two equivalent UO7 pentagonal bipyramids. The corner-sharing octahedral tilt angles are 42°. There are a spread of U–O bond distances ranging from 2.07–2.41 Å. In the third U+5.33+ site, U+5.33+ is bonded to six O2- atoms to form a mixture of corner and edge-sharing UO6 octahedra. There are four shorter (2.12 Å) and two longer (2.19 Å) U–O bond lengths. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three 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 distorted trigonal planar geometry to three U+5.33+ atoms. In the fourth O2- site, O2- is bonded in a linear geometry to two U+5.33+ atoms. In the fifth O2- site, O2- is bonded in a linear geometry to two equivalent 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:
- 1271445
- Report Number(s):
- mp-560402
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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Materials Data on U3O8 by Materials Project
Materials Data on U3O8 by Materials Project