U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ta5Si3 by Materials Project
Abstract
Ta5Si3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Ta–Si bond distances ranging from 2.61–2.73 Å. In the second Ta site, Ta is bonded to six Si atoms to form distorted corner-sharing TaSi6 octahedra. The corner-sharing octahedra tilt angles range from 0–51°. There are four shorter (2.57 Å) and two longer (2.98 Å) Ta–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to ten Ta atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to eight Ta and one Si atom. The Si–Si bond length is 2.41 Å.
- Publication Date:
- Other Number(s):
- mp-1989
- 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; Si-Ta; Ta5Si3; crystal structure
- OSTI Identifier:
- 1195078
- DOI:
- https://doi.org/10.17188/1195078
Citation Formats
Materials Data on Ta5Si3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1195078.
Materials Data on Ta5Si3 by Materials Project. United States. doi:https://doi.org/10.17188/1195078
2020.
"Materials Data on Ta5Si3 by Materials Project". United States. doi:https://doi.org/10.17188/1195078. https://www.osti.gov/servlets/purl/1195078. Pub date:Wed Jul 15 04:00:00 UTC 2020
@article{osti_1195078,
title = {Materials Data on Ta5Si3 by Materials Project},
abstractNote = {Ta5Si3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 5-coordinate geometry to five Si atoms. There are a spread of Ta–Si bond distances ranging from 2.61–2.73 Å. In the second Ta site, Ta is bonded to six Si atoms to form distorted corner-sharing TaSi6 octahedra. The corner-sharing octahedra tilt angles range from 0–51°. There are four shorter (2.57 Å) and two longer (2.98 Å) Ta–Si bond lengths. There are two inequivalent Si sites. In the first Si site, Si is bonded in a 10-coordinate geometry to ten Ta atoms. In the second Si site, Si is bonded in a 9-coordinate geometry to eight Ta and one Si atom. The Si–Si bond length is 2.41 Å.},
doi = {10.17188/1195078},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}