Materials Data on Ta3As by Materials Project
Abstract
Ta3As crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Ta sites. In the first Ta site, Ta is bonded in a 2-coordinate geometry to two equivalent As atoms. There are one shorter (2.64 Å) and one longer (2.68 Å) Ta–As bond lengths. In the second Ta site, Ta is bonded in a distorted see-saw-like geometry to four equivalent As atoms. There are a spread of Ta–As bond distances ranging from 2.63–2.68 Å. In the third Ta site, Ta is bonded in a 2-coordinate geometry to three equivalent As atoms. There are a spread of Ta–As bond distances ranging from 2.61–2.91 Å. As is bonded in a 9-coordinate geometry to nine Ta atoms.
- Authors:
- Publication Date:
- Other Number(s):
- mp-1198134
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- Research Org.:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Org.:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Collaborations:
- MIT; UC Berkeley; Duke; U Louvain
- Subject:
- 36 MATERIALS SCIENCE
- Keywords:
- crystal structure; Ta3As; As-Ta
- OSTI Identifier:
- 1683989
- DOI:
- https://doi.org/10.17188/1683989
Citation Formats
The Materials Project. Materials Data on Ta3As by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1683989.
The Materials Project. Materials Data on Ta3As by Materials Project. United States. doi:https://doi.org/10.17188/1683989
The Materials Project. 2020.
"Materials Data on Ta3As by Materials Project". United States. doi:https://doi.org/10.17188/1683989. https://www.osti.gov/servlets/purl/1683989. Pub date:Sat May 02 00:00:00 EDT 2020
@article{osti_1683989,
title = {Materials Data on Ta3As by Materials Project},
author = {The Materials Project},
abstractNote = {Ta3As crystallizes in the tetragonal P4_2/n space group. The structure is three-dimensional. there are three inequivalent Ta sites. In the first Ta site, Ta is bonded in a 2-coordinate geometry to two equivalent As atoms. There are one shorter (2.64 Å) and one longer (2.68 Å) Ta–As bond lengths. In the second Ta site, Ta is bonded in a distorted see-saw-like geometry to four equivalent As atoms. There are a spread of Ta–As bond distances ranging from 2.63–2.68 Å. In the third Ta site, Ta is bonded in a 2-coordinate geometry to three equivalent As atoms. There are a spread of Ta–As bond distances ranging from 2.61–2.91 Å. As is bonded in a 9-coordinate geometry to nine Ta atoms.},
doi = {10.17188/1683989},
journal = {},
number = ,
volume = ,
place = {United States},
year = {Sat May 02 00:00:00 EDT 2020},
month = {Sat May 02 00:00:00 EDT 2020}
}
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