Title: Materials Data on Ti3InN by Materials Project

Abstract

Ti3InN 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 In and two equivalent N atoms. All Ti–In bond lengths are 2.97 Å. Both Ti–N bond lengths are 2.10 Å. In is bonded to twelve equivalent Ti atoms to form InTi12 cuboctahedra that share corners with twelve equivalent InTi12 cuboctahedra, faces with six equivalent InTi12 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 InTi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.

Publication Date:
Other Number(s):
mp-21233
DOE Contract Number:  
AC02-05CH11231;
Research Org.:
LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Org.:
USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
Collaborations:
The Materials Project; MIT; UC Berkeley; Duke; U Louvain
Subject:
36 MATERIALS SCIENCE; crystal structure; In-N-Ti; Ti3InN
OSTI Identifier:
1196506
DOI:
https://doi.org/10.17188/1196506

Citation Formats

Materials Data on Ti3InN by Materials Project. United States: N. p., 2020. Web. doi:10.17188/1196506.
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Materials Data on Ti3InN by Materials Project. United States. doi:https://doi.org/10.17188/1196506
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2020. "Materials Data on Ti3InN by Materials Project". United States. doi:https://doi.org/10.17188/1196506. https://www.osti.gov/servlets/purl/1196506. Pub date:Tue Jul 14 20:00:00 EDT 2020
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@article{osti_1196506,
title = {Materials Data on Ti3InN by Materials Project},
abstractNote = {Ti3InN 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 In and two equivalent N atoms. All Ti–In bond lengths are 2.97 Å. Both Ti–N bond lengths are 2.10 Å. In is bonded to twelve equivalent Ti atoms to form InTi12 cuboctahedra that share corners with twelve equivalent InTi12 cuboctahedra, faces with six equivalent InTi12 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 InTi12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°.},
doi = {10.17188/1196506},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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DOI: https://doi.org/10.17188/1196506
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