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Title: Materials Data on Ti3Al by Materials Project

Abstract

Ti3Al is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a distorted body-centered cubic geometry to four equivalent Ti and four equivalent Al atoms. All Ti–Ti bond lengths are 2.80 Å. All Ti–Al bond lengths are 2.80 Å. In the second Ti site, Ti is bonded in a distorted body-centered cubic geometry to eight equivalent Ti and six equivalent Al atoms. All Ti–Al bond lengths are 3.23 Å. Al is bonded in a distorted body-centered cubic geometry to fourteen Ti atoms.

Publication Date:
Other Number(s):
mp-999027
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; Ti3Al; Al-Ti
OSTI Identifier:
1317453
DOI:
10.17188/1317453

Citation Formats

The Materials Project. Materials Data on Ti3Al by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1317453.
The Materials Project. Materials Data on Ti3Al by Materials Project. United States. doi:10.17188/1317453.
The Materials Project. 2020. "Materials Data on Ti3Al by Materials Project". United States. doi:10.17188/1317453. https://www.osti.gov/servlets/purl/1317453. Pub date:Tue Jul 21 00:00:00 EDT 2020
@article{osti_1317453,
title = {Materials Data on Ti3Al by Materials Project},
author = {The Materials Project},
abstractNote = {Ti3Al is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a distorted body-centered cubic geometry to four equivalent Ti and four equivalent Al atoms. All Ti–Ti bond lengths are 2.80 Å. All Ti–Al bond lengths are 2.80 Å. In the second Ti site, Ti is bonded in a distorted body-centered cubic geometry to eight equivalent Ti and six equivalent Al atoms. All Ti–Al bond lengths are 3.23 Å. Al is bonded in a distorted body-centered cubic geometry to fourteen Ti atoms.},
doi = {10.17188/1317453},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}

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