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Title: Materials Data on Ti3Al by Materials Project

Abstract

Ti3Al is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Al atoms to form TiTi8Al4 cuboctahedra that share corners with four equivalent AlTi12 cuboctahedra, corners with fourteen equivalent TiTi8Al4 cuboctahedra, edges with six equivalent AlTi12 cuboctahedra, edges with twelve equivalent TiTi8Al4 cuboctahedra, faces with four equivalent AlTi12 cuboctahedra, and faces with sixteen equivalent TiTi8Al4 cuboctahedra. There are a spread of Ti–Ti bond distances ranging from 2.82–2.93 Å. There are two shorter (2.84 Å) and two longer (2.88 Å) Ti–Al bond lengths. Al is bonded to twelve equivalent Ti atoms to form AlTi12 cuboctahedra that share corners with six equivalent AlTi12 cuboctahedra, corners with twelve equivalent TiTi8Al4 cuboctahedra, edges with eighteen equivalent TiTi8Al4 cuboctahedra, faces with eight equivalent AlTi12 cuboctahedra, and faces with twelve equivalent TiTi8Al4 cuboctahedra.

Publication Date:
Other Number(s):
mp-1823
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:
1192999
DOI:
https://doi.org/10.17188/1192999

Citation Formats

The Materials Project. Materials Data on Ti3Al by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1192999.
The Materials Project. Materials Data on Ti3Al by Materials Project. United States. doi:https://doi.org/10.17188/1192999
The Materials Project. 2020. "Materials Data on Ti3Al by Materials Project". United States. doi:https://doi.org/10.17188/1192999. https://www.osti.gov/servlets/purl/1192999. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1192999,
title = {Materials Data on Ti3Al by Materials Project},
author = {The Materials Project},
abstractNote = {Ti3Al is beta Cu3Ti-like structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded to eight equivalent Ti and four equivalent Al atoms to form TiTi8Al4 cuboctahedra that share corners with four equivalent AlTi12 cuboctahedra, corners with fourteen equivalent TiTi8Al4 cuboctahedra, edges with six equivalent AlTi12 cuboctahedra, edges with twelve equivalent TiTi8Al4 cuboctahedra, faces with four equivalent AlTi12 cuboctahedra, and faces with sixteen equivalent TiTi8Al4 cuboctahedra. There are a spread of Ti–Ti bond distances ranging from 2.82–2.93 Å. There are two shorter (2.84 Å) and two longer (2.88 Å) Ti–Al bond lengths. Al is bonded to twelve equivalent Ti atoms to form AlTi12 cuboctahedra that share corners with six equivalent AlTi12 cuboctahedra, corners with twelve equivalent TiTi8Al4 cuboctahedra, edges with eighteen equivalent TiTi8Al4 cuboctahedra, faces with eight equivalent AlTi12 cuboctahedra, and faces with twelve equivalent TiTi8Al4 cuboctahedra.},
doi = {10.17188/1192999},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}