U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TiFeP by Materials Project
Abstract
FeTiP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to six equivalent Fe and five equivalent P atoms. There are a spread of Ti–Fe bond distances ranging from 2.69–2.81 Å. There are three shorter (2.56 Å) and two longer (2.57 Å) Ti–P bond lengths. Fe is bonded to six equivalent Ti and four equivalent P atoms to form a mixture of distorted edge, face, and corner-sharing FeTi6P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.24–2.29 Å. P is bonded in a 9-coordinate geometry to five equivalent Ti and four equivalent Fe atoms.
- Publication Date:
- Other Number(s):
- mp-1101870
- 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:
- 1738361
- DOI:
- https://doi.org/10.17188/1738361
Citation Formats
Materials Data on TiFeP by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738361.
Materials Data on TiFeP by Materials Project. United States. doi:https://doi.org/10.17188/1738361
2020.
"Materials Data on TiFeP by Materials Project". United States. doi:https://doi.org/10.17188/1738361. https://www.osti.gov/servlets/purl/1738361. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1738361,
title = {Materials Data on TiFeP by Materials Project},
abstractNote = {FeTiP crystallizes in the orthorhombic Pnma space group. The structure is three-dimensional. Ti is bonded in a 5-coordinate geometry to six equivalent Fe and five equivalent P atoms. There are a spread of Ti–Fe bond distances ranging from 2.69–2.81 Å. There are three shorter (2.56 Å) and two longer (2.57 Å) Ti–P bond lengths. Fe is bonded to six equivalent Ti and four equivalent P atoms to form a mixture of distorted edge, face, and corner-sharing FeTi6P4 tetrahedra. There are a spread of Fe–P bond distances ranging from 2.24–2.29 Å. P is bonded in a 9-coordinate geometry to five equivalent Ti and four equivalent Fe atoms.},
doi = {10.17188/1738361},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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