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Title: Materials Data on Ti3Fe by Materials Project

Abstract

Ti3Fe crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded to twelve Ti atoms to form a mixture of corner, edge, and face-sharing TiTi12 cuboctahedra. There are six shorter (2.87 Å) and six longer (3.00 Å) Ti–Ti bond lengths. In the second Ti site, Ti is bonded in a 12-coordinate geometry to three equivalent Ti and three equivalent Fe atoms. All Ti–Fe bond lengths are 2.45 Å. Fe is bonded in a 6-coordinate geometry to six equivalent Ti atoms.

Publication Date:
Other Number(s):
mp-1217177
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; Ti3Fe; Fe-Ti
OSTI Identifier:
1685659
DOI:
https://doi.org/10.17188/1685659

Citation Formats

The Materials Project. Materials Data on Ti3Fe by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1685659.
The Materials Project. Materials Data on Ti3Fe by Materials Project. United States. doi:https://doi.org/10.17188/1685659
The Materials Project. 2019. "Materials Data on Ti3Fe by Materials Project". United States. doi:https://doi.org/10.17188/1685659. https://www.osti.gov/servlets/purl/1685659. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1685659,
title = {Materials Data on Ti3Fe by Materials Project},
author = {The Materials Project},
abstractNote = {Ti3Fe crystallizes in the hexagonal P-6m2 space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded to twelve Ti atoms to form a mixture of corner, edge, and face-sharing TiTi12 cuboctahedra. There are six shorter (2.87 Å) and six longer (3.00 Å) Ti–Ti bond lengths. In the second Ti site, Ti is bonded in a 12-coordinate geometry to three equivalent Ti and three equivalent Fe atoms. All Ti–Fe bond lengths are 2.45 Å. Fe is bonded in a 6-coordinate geometry to six equivalent Ti atoms.},
doi = {10.17188/1685659},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}