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Materials Data on Ce2O3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1266495· OSTI ID:1266495
Ce2O3 crystallizes in the cubic Ia-3 space group. The structure is three-dimensional. there are two inequivalent Ce3+ sites. In the first Ce3+ site, Ce3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing CeO6 octahedra. The corner-sharing octahedral tilt angles are 60°. All Ce–O bond lengths are 2.38 Å. In the second Ce3+ site, Ce3+ is bonded to six equivalent O2- atoms to form a mixture of distorted edge and corner-sharing CeO6 octahedra. The corner-sharing octahedra tilt angles range from 59–60°. There are a spread of Ce–O bond distances ranging from 2.34–2.46 Å. O2- is bonded to four Ce3+ atoms to form a mixture of edge and corner-sharing OCe4 tetrahedra.
Research Organization:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Contributing Organization:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
DOE Contract Number:
AC02-05CH11231
OSTI ID:
1266495
Report Number(s):
mp-542313
Country of Publication:
United States
Language:
English

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