Materials Data on SmOF by Materials Project

Dataset · Thu Jul 16 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1313276· OSTI ID:1313276

SmOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. Sm3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Sm–O bond lengths are 2.34 Å. There are three shorter (2.51 Å) and one longer (2.53 Å) Sm–F bond lengths. O2- is bonded to four equivalent Sm3+ atoms to form distorted OSm4 tetrahedra that share corners with six equivalent OSm4 tetrahedra, corners with ten equivalent FSm4 tetrahedra, edges with three equivalent OSm4 tetrahedra, and edges with three equivalent FSm4 tetrahedra. F1- is bonded to four equivalent Sm3+ atoms to form distorted FSm4 tetrahedra that share corners with six equivalent FSm4 tetrahedra, corners with ten equivalent OSm4 tetrahedra, edges with three equivalent OSm4 tetrahedra, and edges with three equivalent FSm4 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: 1313276
• Report Number(s): mp-9488
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
F-O-Sm
SmOF
crystal structure