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Title: Materials Data on UO3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1199405· OSTI ID:1199405

UO3 crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. U6+ is bonded to eight O2- atoms to form a mixture of corner and edge-sharing UO8 hexagonal bipyramids. There are a spread of U–O bond distances ranging from 2.07–2.36 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent U6+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent U6+ 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:
1199405
Report Number(s):
mp-233
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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