Materials Data on ScOF by Materials Project

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

DOI:https://doi.org/10.17188/1208322· OSTI ID:1208322

The Materials Project

ScOF is Baddeleyite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sc3+ is bonded to four equivalent O2- and three equivalent F1- atoms to form a mixture of distorted corner and edge-sharing ScO4F3 pentagonal bipyramids. There are a spread of Sc–O bond distances ranging from 2.08–2.16 Å. There are a spread of Sc–F bond distances ranging from 2.15–2.30 Å. O2- is bonded to four equivalent Sc3+ atoms to form a mixture of distorted corner and edge-sharing OSc4 tetrahedra. F1- is bonded in a 3-coordinate geometry to three equivalent Sc3+ atoms.

• 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: 1208322
• Report Number(s): mp-4661
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
ScOF
F-O-Sc