Materials Data on LaOF by Materials Project

Dataset · Wed Jul 15 04:00:00 EDT 2020

DOI:https://doi.org/10.17188/1282211· OSTI ID:1282211

LaOF crystallizes in the trigonal R-3m space group. The structure is three-dimensional. La3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. There are one shorter (2.40 Å) and three longer (2.43 Å) La–O bond lengths. There are three shorter (2.59 Å) and one longer (2.65 Å) La–F bond lengths. O2- is bonded to four equivalent La3+ atoms to form OLa4 tetrahedra that share corners with six equivalent OLa4 tetrahedra, corners with ten equivalent FLa4 tetrahedra, edges with three equivalent OLa4 tetrahedra, and edges with three equivalent FLa4 tetrahedra. F1- is bonded to four equivalent La3+ atoms to form distorted FLa4 tetrahedra that share corners with six equivalent FLa4 tetrahedra, corners with ten equivalent OLa4 tetrahedra, edges with three equivalent OLa4 tetrahedra, and edges with three equivalent FLa4 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: 1282211
• Report Number(s): mp-8111
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
F-La-O
LaOF
crystal structure