U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ti10FeSb5 by Materials Project
Abstract
Ti10FeSb5 crystallizes in the tetragonal I422 space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 6-coordinate geometry to one Fe and five Sb atoms. The Ti–Fe bond length is 2.71 Å. There are a spread of Ti–Sb bond distances ranging from 2.76–3.09 Å. In the second Ti site, Ti is bonded in a 6-coordinate geometry to two equivalent Ti and four equivalent Sb atoms. Both Ti–Ti bond lengths are 2.61 Å. All Ti–Sb bond lengths are 2.76 Å. Fe is bonded in a distorted q6 geometry to eight equivalent Ti and two equivalent Sb atoms. Both Fe–Sb bond lengths are 2.61 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 10-coordinate geometry to ten Ti atoms. In the second Sb site, Sb is bonded in a distorted q6 geometry to eight equivalent Ti and two equivalent Fe atoms.
- Publication Date:
- Other Number(s):
- mp-1217288
- 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-Sb-Ti; Ti10FeSb5; crystal structure
- OSTI Identifier:
- 1653775
- DOI:
- https://doi.org/10.17188/1653775
Citation Formats
Materials Data on Ti10FeSb5 by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1653775.
Materials Data on Ti10FeSb5 by Materials Project. United States. doi:https://doi.org/10.17188/1653775
2019.
"Materials Data on Ti10FeSb5 by Materials Project". United States. doi:https://doi.org/10.17188/1653775. https://www.osti.gov/servlets/purl/1653775. Pub date:Sat Jan 12 04:00:00 UTC 2019
@article{osti_1653775,
title = {Materials Data on Ti10FeSb5 by Materials Project},
abstractNote = {Ti10FeSb5 crystallizes in the tetragonal I422 space group. The structure is three-dimensional. there are two inequivalent Ti sites. In the first Ti site, Ti is bonded in a 6-coordinate geometry to one Fe and five Sb atoms. The Ti–Fe bond length is 2.71 Å. There are a spread of Ti–Sb bond distances ranging from 2.76–3.09 Å. In the second Ti site, Ti is bonded in a 6-coordinate geometry to two equivalent Ti and four equivalent Sb atoms. Both Ti–Ti bond lengths are 2.61 Å. All Ti–Sb bond lengths are 2.76 Å. Fe is bonded in a distorted q6 geometry to eight equivalent Ti and two equivalent Sb atoms. Both Fe–Sb bond lengths are 2.61 Å. There are two inequivalent Sb sites. In the first Sb site, Sb is bonded in a 10-coordinate geometry to ten Ti atoms. In the second Sb site, Sb is bonded in a distorted q6 geometry to eight equivalent Ti and two equivalent Fe atoms.},
doi = {10.17188/1653775},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}