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Title: Materials Data on Ti4Fe by Materials Project

Abstract

FeTi4 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a distorted L-shaped geometry to two equivalent Ti and two equivalent Fe atoms. Both Ti–Ti bond lengths are 2.90 Å. Both Ti–Fe bond lengths are 2.40 Å. In the second Ti site, Ti is bonded in a distorted body-centered cubic geometry to eight Ti atoms. There are two shorter (2.78 Å) and four longer (2.82 Å) Ti–Ti bond lengths. Fe is bonded in a distorted square co-planar geometry to four equivalent Ti atoms.

Authors:
Publication Date:
Other Number(s):
mp-1217161
DOE Contract Number:  
AC02-05CH11231; EDCBEE
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)
Collaborations:
MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE
Keywords:
crystal structure; Ti4Fe; Fe-Ti
OSTI Identifier:
1731340
DOI:
https://doi.org/10.17188/1731340

Citation Formats

The Materials Project. Materials Data on Ti4Fe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1731340.
The Materials Project. Materials Data on Ti4Fe by Materials Project. United States. doi:https://doi.org/10.17188/1731340
The Materials Project. 2020. "Materials Data on Ti4Fe by Materials Project". United States. doi:https://doi.org/10.17188/1731340. https://www.osti.gov/servlets/purl/1731340. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1731340,
title = {Materials Data on Ti4Fe by Materials Project},
author = {The Materials Project},
abstractNote = {FeTi4 crystallizes in the orthorhombic Fmmm space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a distorted L-shaped geometry to two equivalent Ti and two equivalent Fe atoms. Both Ti–Ti bond lengths are 2.90 Å. Both Ti–Fe bond lengths are 2.40 Å. In the second Ti site, Ti is bonded in a distorted body-centered cubic geometry to eight Ti atoms. There are two shorter (2.78 Å) and four longer (2.82 Å) Ti–Ti bond lengths. Fe is bonded in a distorted square co-planar geometry to four equivalent Ti atoms.},
doi = {10.17188/1731340},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}