Materials Data on Th7Fe3 by Materials Project

Dataset · Tue Jul 14 00:00:00 EDT 2020

DOI:https://doi.org/10.17188/1192834· OSTI ID:1192834

The Materials Project

Th7Fe3 crystallizes in the hexagonal P6_3mc space group. The structure is three-dimensional. there are three inequivalent Th sites. In the first Th site, Th is bonded in a 3-coordinate geometry to three equivalent Fe atoms. All Th–Fe bond lengths are 2.90 Å. In the second Th site, Th is bonded in a distorted water-like geometry to two equivalent Fe atoms. Both Th–Fe bond lengths are 2.75 Å. In the third Th site, Th is bonded in a 3-coordinate geometry to three equivalent Fe atoms. There are two shorter (2.75 Å) and one longer (3.02 Å) Th–Fe bond lengths. Fe is bonded in a 6-coordinate geometry to six Th 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: 1192834
• Report Number(s): mp-18014
• Resource Relation: Related Information: https://materialsproject.org/citing
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
crystal structure
Th7Fe3
Fe-Th