skip to main content
DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on ThFe5 by Materials Project

Abstract

ThFe5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are six shorter (2.93 Å) and twelve longer (3.24 Å) Th–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to four equivalent Th and eight Fe atoms to form a mixture of edge, face, and corner-sharing FeTh4Fe8 cuboctahedra. There are four shorter (2.50 Å) and four longer (2.54 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded to three equivalent Th and six equivalent Fe atoms to form a mixture of distorted edge, face, and corner-sharing FeTh3Fe6 cuboctahedra.

Publication Date:
Other Number(s):
mp-2689
DOE Contract Number:  
AC02-05CH11231; EDCBEE
Product Type:
Dataset
Research Org.:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES)
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; ThFe5; Fe-Th
OSTI Identifier:
1201257
DOI:
10.17188/1201257

Citation Formats

The Materials Project. Materials Data on ThFe5 by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1201257.
The Materials Project. Materials Data on ThFe5 by Materials Project. United States. doi:10.17188/1201257.
The Materials Project. 2020. "Materials Data on ThFe5 by Materials Project". United States. doi:10.17188/1201257. https://www.osti.gov/servlets/purl/1201257. Pub date:Tue Jul 14 00:00:00 EDT 2020
@article{osti_1201257,
title = {Materials Data on ThFe5 by Materials Project},
author = {The Materials Project},
abstractNote = {ThFe5 crystallizes in the hexagonal P6/mmm space group. The structure is three-dimensional. Th is bonded in a 6-coordinate geometry to eighteen Fe atoms. There are six shorter (2.93 Å) and twelve longer (3.24 Å) Th–Fe bond lengths. There are two inequivalent Fe sites. In the first Fe site, Fe is bonded to four equivalent Th and eight Fe atoms to form a mixture of edge, face, and corner-sharing FeTh4Fe8 cuboctahedra. There are four shorter (2.50 Å) and four longer (2.54 Å) Fe–Fe bond lengths. In the second Fe site, Fe is bonded to three equivalent Th and six equivalent Fe atoms to form a mixture of distorted edge, face, and corner-sharing FeTh3Fe6 cuboctahedra.},
doi = {10.17188/1201257},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

Dataset:

Save / Share: