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Title: Materials Data on Ti3AlN by Materials Project

Abstract

Ti3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded in a linear geometry to four equivalent Al and two equivalent N atoms. All Ti–Al bond lengths are 2.92 Å. Both Ti–N bond lengths are 2.06 Å. Al is bonded to twelve equivalent Ti atoms to form AlTi12 cuboctahedra that share corners with twelve equivalent AlTi12 cuboctahedra, faces with six equivalent AlTi12 cuboctahedra, and faces with eight equivalent NTi6 octahedra. N is bonded to six equivalent Ti atoms to form NTi6 octahedra that share corners with six equivalent NTi6 octahedra and faces with eight equivalent AlTi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Authors:
Publication Date:
Other Number(s):
mp-10675
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; Ti3AlN; Al-N-Ti
OSTI Identifier:
1187279
DOI:
https://doi.org/10.17188/1187279

Citation Formats

The Materials Project. Materials Data on Ti3AlN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1187279.
The Materials Project. Materials Data on Ti3AlN by Materials Project. United States. doi:https://doi.org/10.17188/1187279
The Materials Project. 2020. "Materials Data on Ti3AlN by Materials Project". United States. doi:https://doi.org/10.17188/1187279. https://www.osti.gov/servlets/purl/1187279. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1187279,
title = {Materials Data on Ti3AlN by Materials Project},
author = {The Materials Project},
abstractNote = {Ti3AlN is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Ti is bonded in a linear geometry to four equivalent Al and two equivalent N atoms. All Ti–Al bond lengths are 2.92 Å. Both Ti–N bond lengths are 2.06 Å. Al is bonded to twelve equivalent Ti atoms to form AlTi12 cuboctahedra that share corners with twelve equivalent AlTi12 cuboctahedra, faces with six equivalent AlTi12 cuboctahedra, and faces with eight equivalent NTi6 octahedra. N is bonded to six equivalent Ti atoms to form NTi6 octahedra that share corners with six equivalent NTi6 octahedra and faces with eight equivalent AlTi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1187279},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}