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Title: Materials Data on Ti2Fe by Materials Project

Abstract

Ti2Fe crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 12-coordinate geometry to six equivalent Ti and six equivalent Fe atoms. All Ti–Ti bond lengths are 2.87 Å. All Ti–Fe bond lengths are 2.46 Å. In the second Ti site, Ti is bonded in a 2-coordinate geometry to ten Ti and four equivalent Fe atoms. There are four shorter (2.96 Å) and four longer (3.01 Å) Ti–Ti bond lengths. There are two shorter (2.59 Å) and two longer (2.86 Å) Ti–Fe bond lengths. Fe is bonded in a 12-coordinate geometry to nine Ti atoms.

Publication Date:
Other Number(s):
mp-1192216
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; Ti2Fe; Fe-Ti
OSTI Identifier:
1719557
DOI:
10.17188/1719557

Citation Formats

The Materials Project. Materials Data on Ti2Fe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1719557.
The Materials Project. Materials Data on Ti2Fe by Materials Project. United States. doi:10.17188/1719557.
The Materials Project. 2020. "Materials Data on Ti2Fe by Materials Project". United States. doi:10.17188/1719557. https://www.osti.gov/servlets/purl/1719557. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1719557,
title = {Materials Data on Ti2Fe by Materials Project},
author = {The Materials Project},
abstractNote = {Ti2Fe crystallizes in the cubic Fd-3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 12-coordinate geometry to six equivalent Ti and six equivalent Fe atoms. All Ti–Ti bond lengths are 2.87 Å. All Ti–Fe bond lengths are 2.46 Å. In the second Ti site, Ti is bonded in a 2-coordinate geometry to ten Ti and four equivalent Fe atoms. There are four shorter (2.96 Å) and four longer (3.01 Å) Ti–Ti bond lengths. There are two shorter (2.59 Å) and two longer (2.86 Å) Ti–Fe bond lengths. Fe is bonded in a 12-coordinate geometry to nine Ti atoms.},
doi = {10.17188/1719557},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}

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