U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TiFeP by Materials Project
Abstract
FeTiP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to six equivalent Fe and five P atoms. There are two shorter (2.69 Å) and four longer (2.82 Å) Ti–Fe bond lengths. There are one shorter (2.51 Å) and four longer (2.53 Å) Ti–P bond lengths. Fe is bonded in a 4-coordinate geometry to six equivalent Ti and four P atoms. There are two shorter (2.30 Å) and two longer (2.31 Å) Fe–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to three equivalent Ti and six equivalent Fe atoms. In the second P site, P is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Fe atoms.
- Publication Date:
- Other Number(s):
- mp-1080486
- 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; Fe-P-Ti; TiFeP; crystal structure
- OSTI Identifier:
- 1653009
- DOI:
- https://doi.org/10.17188/1653009
Citation Formats
Materials Data on TiFeP by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1653009.
Materials Data on TiFeP by Materials Project. United States. doi:https://doi.org/10.17188/1653009
2020.
"Materials Data on TiFeP by Materials Project". United States. doi:https://doi.org/10.17188/1653009. https://www.osti.gov/servlets/purl/1653009. Pub date:Thu Jul 16 00:00:00 EDT 2020
@article{osti_1653009,
title = {Materials Data on TiFeP by Materials Project},
abstractNote = {FeTiP crystallizes in the hexagonal P-62m space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to six equivalent Fe and five P atoms. There are two shorter (2.69 Å) and four longer (2.82 Å) Ti–Fe bond lengths. There are one shorter (2.51 Å) and four longer (2.53 Å) Ti–P bond lengths. Fe is bonded in a 4-coordinate geometry to six equivalent Ti and four P atoms. There are two shorter (2.30 Å) and two longer (2.31 Å) Fe–P bond lengths. There are two inequivalent P sites. In the first P site, P is bonded in a 9-coordinate geometry to three equivalent Ti and six equivalent Fe atoms. In the second P site, P is bonded in a 9-coordinate geometry to six equivalent Ti and three equivalent Fe atoms.},
doi = {10.17188/1653009},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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