U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TiFeH by Materials Project
Abstract
FeTiH crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Ti is bonded in a 10-coordinate geometry to six equivalent Fe and four equivalent H atoms. There are two shorter (2.50 Å) and four longer (2.60 Å) Ti–Fe bond lengths. All Ti–H bond lengths are 2.14 Å. Fe is bonded in a 2-coordinate geometry to six equivalent Ti and two equivalent H atoms. Both Fe–H bond lengths are 1.75 Å. H is bonded to four equivalent Ti and two equivalent Fe atoms to form a mixture of edge, corner, and face-sharing HTi4Fe2 octahedra. The corner-sharing octahedral tilt angles are 65°.
- Publication Date:
- Other Number(s):
- mp-1077746
- 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-H-Ti; TiFeH; crystal structure
- OSTI Identifier:
- 1652884
- DOI:
- https://doi.org/10.17188/1652884
Citation Formats
Materials Data on TiFeH by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1652884.
Materials Data on TiFeH by Materials Project. United States. doi:https://doi.org/10.17188/1652884
2020.
"Materials Data on TiFeH by Materials Project". United States. doi:https://doi.org/10.17188/1652884. https://www.osti.gov/servlets/purl/1652884. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1652884,
title = {Materials Data on TiFeH by Materials Project},
abstractNote = {FeTiH crystallizes in the orthorhombic Pmma space group. The structure is three-dimensional. Ti is bonded in a 10-coordinate geometry to six equivalent Fe and four equivalent H atoms. There are two shorter (2.50 Å) and four longer (2.60 Å) Ti–Fe bond lengths. All Ti–H bond lengths are 2.14 Å. Fe is bonded in a 2-coordinate geometry to six equivalent Ti and two equivalent H atoms. Both Fe–H bond lengths are 1.75 Å. H is bonded to four equivalent Ti and two equivalent Fe atoms to form a mixture of edge, corner, and face-sharing HTi4Fe2 octahedra. The corner-sharing octahedral tilt angles are 65°.},
doi = {10.17188/1652884},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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