DOE Data Explorer title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Materials Data on Ti2Al3 by Materials Project

Abstract

Ti2Al3 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to three equivalent Ti and eight Al atoms. There are two shorter (2.81 Å) and one longer (2.84 Å) Ti–Ti bond lengths. There are a spread of Ti–Al bond distances ranging from 2.72–3.13 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to five equivalent Ti and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.67–2.74 Å. In the second Al site, Al is bonded in a 8-coordinate geometry to six equivalent Ti and four equivalent Al atoms.

Publication Date:
Other Number(s):
mp-1208324
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; Ti2Al3; Al-Ti
OSTI Identifier:
1707109
DOI:
https://doi.org/10.17188/1707109

Citation Formats

The Materials Project. Materials Data on Ti2Al3 by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1707109.
The Materials Project. Materials Data on Ti2Al3 by Materials Project. United States. doi:https://doi.org/10.17188/1707109
The Materials Project. 2019. "Materials Data on Ti2Al3 by Materials Project". United States. doi:https://doi.org/10.17188/1707109. https://www.osti.gov/servlets/purl/1707109. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1707109,
title = {Materials Data on Ti2Al3 by Materials Project},
author = {The Materials Project},
abstractNote = {Ti2Al3 crystallizes in the tetragonal I4_1/amd space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to three equivalent Ti and eight Al atoms. There are two shorter (2.81 Å) and one longer (2.84 Å) Ti–Ti bond lengths. There are a spread of Ti–Al bond distances ranging from 2.72–3.13 Å. There are two inequivalent Al sites. In the first Al site, Al is bonded in a 10-coordinate geometry to five equivalent Ti and five Al atoms. There are a spread of Al–Al bond distances ranging from 2.67–2.74 Å. In the second Al site, Al is bonded in a 8-coordinate geometry to six equivalent Ti and four equivalent Al atoms.},
doi = {10.17188/1707109},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}