U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ti3Ni4 by Materials Project
Abstract
Ni4Ti3 is delta Molybdenum Boride-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ti is bonded in a 9-coordinate geometry to nine Ni atoms. There are a spread of Ti–Ni bond distances ranging from 2.44–2.72 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 6-coordinate geometry to six equivalent Ti and eight Ni atoms. There are two shorter (2.52 Å) and six longer (2.92 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a 8-coordinate geometry to six equivalent Ti and two equivalent Ni atoms. In the third Ni site, Ni is bonded in a 7-coordinate geometry to seven equivalent Ti and one Ni atom.
- Publication Date:
- Other Number(s):
- mp-567653
- 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; Ni-Ti; Ti3Ni4; crystal structure
- OSTI Identifier:
- 1273976
- DOI:
- https://doi.org/10.17188/1273976
Citation Formats
Materials Data on Ti3Ni4 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1273976.
Materials Data on Ti3Ni4 by Materials Project. United States. doi:https://doi.org/10.17188/1273976
2020.
"Materials Data on Ti3Ni4 by Materials Project". United States. doi:https://doi.org/10.17188/1273976. https://www.osti.gov/servlets/purl/1273976. Pub date:Fri Jul 17 00:00:00 EDT 2020
@article{osti_1273976,
title = {Materials Data on Ti3Ni4 by Materials Project},
abstractNote = {Ni4Ti3 is delta Molybdenum Boride-like structured and crystallizes in the trigonal R-3 space group. The structure is three-dimensional. Ti is bonded in a 9-coordinate geometry to nine Ni atoms. There are a spread of Ti–Ni bond distances ranging from 2.44–2.72 Å. There are three inequivalent Ni sites. In the first Ni site, Ni is bonded in a 6-coordinate geometry to six equivalent Ti and eight Ni atoms. There are two shorter (2.52 Å) and six longer (2.92 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded in a 8-coordinate geometry to six equivalent Ti and two equivalent Ni atoms. In the third Ni site, Ni is bonded in a 7-coordinate geometry to seven equivalent Ti and one Ni atom.},
doi = {10.17188/1273976},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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