Materials Data on BiOF by Materials Project

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

DOI:https://doi.org/10.17188/1289068· OSTI ID:1289068

BiOF crystallizes in the tetragonal P4/nmm space group. The structure is three-dimensional. Bi3+ is bonded in a body-centered cubic geometry to four equivalent O2- and four equivalent F1- atoms. All Bi–O bond lengths are 2.37 Å. All Bi–F bond lengths are 2.60 Å. O2- is bonded to four equivalent Bi3+ atoms to form distorted OBi4 tetrahedra that share corners with four equivalent OBi4 tetrahedra, corners with twelve equivalent FBi4 tetrahedra, edges with two equivalent FBi4 tetrahedra, and edges with four equivalent OBi4 tetrahedra. F1- is bonded to four equivalent Bi3+ atoms to form distorted FBi4 tetrahedra that share corners with four equivalent FBi4 tetrahedra, corners with twelve equivalent OBi4 tetrahedra, edges with two equivalent OBi4 tetrahedra, and edges with four equivalent FBi4 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: 1289068
• Report Number(s): mp-753594
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
Bi-F-O
BiOF
crystal structure