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Title: Materials Data on Ti2GaFe by Materials Project

Abstract

Ti2FeGa is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 4-coordinate geometry to four equivalent Ti, six equivalent Fe, and four equivalent Ga atoms. All Ti–Ti bond lengths are 2.65 Å. All Ti–Fe bond lengths are 3.06 Å. All Ti–Ga bond lengths are 2.65 Å. In the second Ti site, Ti is bonded in a 4-coordinate geometry to four equivalent Ti, four equivalent Fe, and six equivalent Ga atoms. All Ti–Fe bond lengths are 2.65 Å. All Ti–Ga bond lengths are 3.06 Å. Fe is bonded in a 8-coordinate geometry to ten Ti and four equivalent Ga atoms. All Fe–Ga bond lengths are 2.65 Å. Ga is bonded in a 8-coordinate geometry to ten Ti and four equivalent Fe atoms.

Authors:
Publication Date:
Other Number(s):
mp-999059
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; Ti2GaFe; Fe-Ga-Ti
OSTI Identifier:
1317459
DOI:
https://doi.org/10.17188/1317459

Citation Formats

The Materials Project. Materials Data on Ti2GaFe by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317459.
The Materials Project. Materials Data on Ti2GaFe by Materials Project. United States. doi:https://doi.org/10.17188/1317459
The Materials Project. 2020. "Materials Data on Ti2GaFe by Materials Project". United States. doi:https://doi.org/10.17188/1317459. https://www.osti.gov/servlets/purl/1317459. Pub date:Thu Jul 23 00:00:00 EDT 2020
@article{osti_1317459,
title = {Materials Data on Ti2GaFe by Materials Project},
author = {The Materials Project},
abstractNote = {Ti2FeGa is Zintl Phase-derived structured and crystallizes in the cubic F-43m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 4-coordinate geometry to four equivalent Ti, six equivalent Fe, and four equivalent Ga atoms. All Ti–Ti bond lengths are 2.65 Å. All Ti–Fe bond lengths are 3.06 Å. All Ti–Ga bond lengths are 2.65 Å. In the second Ti site, Ti is bonded in a 4-coordinate geometry to four equivalent Ti, four equivalent Fe, and six equivalent Ga atoms. All Ti–Fe bond lengths are 2.65 Å. All Ti–Ga bond lengths are 3.06 Å. Fe is bonded in a 8-coordinate geometry to ten Ti and four equivalent Ga atoms. All Fe–Ga bond lengths are 2.65 Å. Ga is bonded in a 8-coordinate geometry to ten Ti and four equivalent Fe atoms.},
doi = {10.17188/1317459},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}