Materials Data on CeOF by Materials Project

Dataset · Thu Jul 23 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1289757· OSTI ID:1289757

CeOF crystallizes in the tetragonal P4/nmm 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 2.36 Å. All Ce–F bond lengths are 2.61 Å. O2- is bonded to four equivalent Ce3+ atoms to form distorted OCe4 tetrahedra that share corners with four equivalent OCe4 tetrahedra, corners with twelve equivalent FCe4 tetrahedra, edges with two equivalent FCe4 tetrahedra, and edges with four equivalent OCe4 tetrahedra. F1- is bonded to four equivalent Ce3+ atoms to form distorted FCe4 tetrahedra that share corners with four equivalent FCe4 tetrahedra, corners with twelve equivalent OCe4 tetrahedra, edges with two equivalent OCe4 tetrahedra, and edges with four equivalent FCe4 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: 1289757
• Report Number(s): mp-755074
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Ce-F-O
CeOF
crystal structure