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Title: Materials Data on Ti2Al3Ni by Materials Project

Abstract

Al3NiTi2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to four equivalent Ti, three equivalent Ni, and nine equivalent Al atoms. There are one shorter (2.88 Å) and three longer (3.14 Å) Ti–Ti bond lengths. All Ti–Ni bond lengths are 3.00 Å. There are three shorter (2.88 Å) and six longer (2.94 Å) Ti–Al bond lengths. Ni is bonded to six equivalent Ti and six equivalent Al atoms to form distorted NiTi6Al6 cuboctahedra that share corners with twelve equivalent AlTi6Al4Ni2 cuboctahedra, edges with six equivalent NiTi6Al6 cuboctahedra, faces with two equivalent NiTi6Al6 cuboctahedra, and faces with eighteen equivalent AlTi6Al4Ni2 cuboctahedra. All Ni–Al bond lengths are 2.46 Å. Al is bonded to six equivalent Ti, two equivalent Ni, and four equivalent Al atoms to form distorted AlTi6Al4Ni2 cuboctahedra that share corners with four equivalent NiTi6Al6 cuboctahedra, corners with fourteen equivalent AlTi6Al4Ni2 cuboctahedra, edges with six equivalent AlTi6Al4Ni2 cuboctahedra, faces with six equivalent NiTi6Al6 cuboctahedra, and faces with twelve equivalent AlTi6Al4Ni2 cuboctahedra. There are two shorter (2.54 Å) and two longer (2.58 Å) Al–Al bond lengths.

Authors:
Publication Date:
Other Number(s):
mp-1217248
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; Ti2Al3Ni; Al-Ni-Ti
OSTI Identifier:
1706066
DOI:
https://doi.org/10.17188/1706066

Citation Formats

The Materials Project. Materials Data on Ti2Al3Ni by Materials Project. United States: N. p., 2019. Web. doi:10.17188/1706066.
The Materials Project. Materials Data on Ti2Al3Ni by Materials Project. United States. doi:https://doi.org/10.17188/1706066
The Materials Project. 2019. "Materials Data on Ti2Al3Ni by Materials Project". United States. doi:https://doi.org/10.17188/1706066. https://www.osti.gov/servlets/purl/1706066. Pub date:Sat Jan 12 00:00:00 EST 2019
@article{osti_1706066,
title = {Materials Data on Ti2Al3Ni by Materials Project},
author = {The Materials Project},
abstractNote = {Al3NiTi2 crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Ti is bonded in a 12-coordinate geometry to four equivalent Ti, three equivalent Ni, and nine equivalent Al atoms. There are one shorter (2.88 Å) and three longer (3.14 Å) Ti–Ti bond lengths. All Ti–Ni bond lengths are 3.00 Å. There are three shorter (2.88 Å) and six longer (2.94 Å) Ti–Al bond lengths. Ni is bonded to six equivalent Ti and six equivalent Al atoms to form distorted NiTi6Al6 cuboctahedra that share corners with twelve equivalent AlTi6Al4Ni2 cuboctahedra, edges with six equivalent NiTi6Al6 cuboctahedra, faces with two equivalent NiTi6Al6 cuboctahedra, and faces with eighteen equivalent AlTi6Al4Ni2 cuboctahedra. All Ni–Al bond lengths are 2.46 Å. Al is bonded to six equivalent Ti, two equivalent Ni, and four equivalent Al atoms to form distorted AlTi6Al4Ni2 cuboctahedra that share corners with four equivalent NiTi6Al6 cuboctahedra, corners with fourteen equivalent AlTi6Al4Ni2 cuboctahedra, edges with six equivalent AlTi6Al4Ni2 cuboctahedra, faces with six equivalent NiTi6Al6 cuboctahedra, and faces with twelve equivalent AlTi6Al4Ni2 cuboctahedra. There are two shorter (2.54 Å) and two longer (2.58 Å) Al–Al bond lengths.},
doi = {10.17188/1706066},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}