Materials Data on GdF3 by Materials Project

Dataset · Mon Jul 20 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1313980· OSTI ID:1313980

The Materials Project

GdF3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Gd3+ is bonded in a distorted body-centered cubic geometry to fourteen F1- atoms. There are eight shorter (2.45 Å) and six longer (2.83 Å) Gd–F bond lengths. There are two inequivalent F1- sites. In the first F1- site, F1- is bonded to four equivalent Gd3+ and four equivalent F1- atoms to form a mixture of corner, edge, and face-sharing FGd4F4 tetrahedra. All F–F bond lengths are 2.45 Å. In the second F1- site, F1- is bonded in a 6-coordinate geometry to six equivalent Gd3+ and eight equivalent F1- 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: 1313980
• Report Number(s): mp-972965
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
GdF3
F-Gd