U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on TcAs3 by Materials Project
Abstract
TcAs3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tc1+ is bonded in a distorted body-centered cubic geometry to fourteen As+0.33- atoms. There are eight shorter (2.79 Å) and six longer (3.22 Å) Tc–As bond lengths. There are two inequivalent As+0.33- sites. In the first As+0.33- site, As+0.33- is bonded in a distorted body-centered cubic geometry to four equivalent Tc1+ and four equivalent As+0.33- atoms. All As–As bond lengths are 2.79 Å. In the second As+0.33- site, As+0.33- is bonded in a 8-coordinate geometry to six equivalent Tc1+ and eight equivalent As+0.33- atoms.
- Publication Date:
- Other Number(s):
- mp-1187399
- 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; As-Tc; TcAs3; crystal structure
- OSTI Identifier:
- 1695397
- DOI:
- https://doi.org/10.17188/1695397
Citation Formats
Materials Data on TcAs3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1695397.
Materials Data on TcAs3 by Materials Project. United States. doi:https://doi.org/10.17188/1695397
2020.
"Materials Data on TcAs3 by Materials Project". United States. doi:https://doi.org/10.17188/1695397. https://www.osti.gov/servlets/purl/1695397. Pub date:Mon May 04 00:00:00 EDT 2020
@article{osti_1695397,
title = {Materials Data on TcAs3 by Materials Project},
abstractNote = {TcAs3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Tc1+ is bonded in a distorted body-centered cubic geometry to fourteen As+0.33- atoms. There are eight shorter (2.79 Å) and six longer (3.22 Å) Tc–As bond lengths. There are two inequivalent As+0.33- sites. In the first As+0.33- site, As+0.33- is bonded in a distorted body-centered cubic geometry to four equivalent Tc1+ and four equivalent As+0.33- atoms. All As–As bond lengths are 2.79 Å. In the second As+0.33- site, As+0.33- is bonded in a 8-coordinate geometry to six equivalent Tc1+ and eight equivalent As+0.33- atoms.},
doi = {10.17188/1695397},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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