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Title: Materials Data on CeOF by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1206912· OSTI ID:1206912

CeOF is half-Heusler structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. Ce3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Ce–O bond lengths are 2.45 Å. All Ce–F bond lengths are 2.45 Å. O2- is bonded to four equivalent Ce3+ atoms to form OCe4 tetrahedra that share corners with four equivalent FCe4 tetrahedra, corners with twelve equivalent OCe4 tetrahedra, and edges with six equivalent FCe4 tetrahedra. F1- is bonded to four equivalent Ce3+ atoms to form FCe4 tetrahedra that share corners with four equivalent OCe4 tetrahedra, corners with twelve equivalent FCe4 tetrahedra, and edges with six equivalent OCe4 tetrahedra.

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:
1206912
Report Number(s):
mp-34976
Resource Relation:
Related Information: https://materialsproject.org/citing
Country of Publication:
United States
Language:
English

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