U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Ta by Materials Project
Abstract
Ta is beta Uranium structured and crystallizes in the tetragonal P-4 space group. The structure is three-dimensional. there are eight inequivalent Ta sites. In the first Ta site, Ta is bonded in a 6-coordinate geometry to fourteen Ta atoms. There are a spread of Ta–Ta bond distances ranging from 2.74–3.31 Å. In the second Ta site, Ta is bonded to twelve Ta atoms to form a mixture of corner, edge, and face-sharing TaTa12 cuboctahedra. There are a spread of Ta–Ta bond distances ranging from 2.76–3.14 Å. In the third Ta site, Ta is bonded in a 2-coordinate geometry to fourteen Ta atoms. There are a spread of Ta–Ta bond distances ranging from 2.66–3.38 Å. In the fourth Ta site, Ta is bonded in a 2-coordinate geometry to fifteen Ta atoms. There are a spread of Ta–Ta bond distances ranging from 2.82–3.37 Å. In the fifth Ta site, Ta is bonded in a 2-coordinate geometry to fourteen Ta atoms. There are a spread of Ta–Ta bond distances ranging from 2.96–3.24 Å. In the sixth Ta site, Ta is bonded to twelve Ta atoms to form a mixture of corner, edge, and face-sharing TaTa12 cuboctahedra. The Ta–Ta bond length is 2.76 Å.more »
- Authors:
- Publication Date:
- Other Number(s):
- mp-569794
- 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; Ta; Ta
- OSTI Identifier:
- 1275267
- DOI:
- https://doi.org/10.17188/1275267
Citation Formats
The Materials Project. Materials Data on Ta by Materials Project. United States: N. p., 2017.
Web. doi:10.17188/1275267.
The Materials Project. Materials Data on Ta by Materials Project. United States. doi:https://doi.org/10.17188/1275267
The Materials Project. 2017.
"Materials Data on Ta by Materials Project". United States. doi:https://doi.org/10.17188/1275267. https://www.osti.gov/servlets/purl/1275267. Pub date:Mon Jul 24 00:00:00 EDT 2017
@article{osti_1275267,
title = {Materials Data on Ta by Materials Project},
author = {The Materials Project},
abstractNote = {Ta is beta Uranium structured and crystallizes in the tetragonal P-4 space group. The structure is three-dimensional. there are eight inequivalent Ta sites. In the first Ta site, Ta is bonded in a 6-coordinate geometry to fourteen Ta atoms. There are a spread of Ta–Ta bond distances ranging from 2.74–3.31 Å. In the second Ta site, Ta is bonded to twelve Ta atoms to form a mixture of corner, edge, and face-sharing TaTa12 cuboctahedra. There are a spread of Ta–Ta bond distances ranging from 2.76–3.14 Å. In the third Ta site, Ta is bonded in a 2-coordinate geometry to fourteen Ta atoms. There are a spread of Ta–Ta bond distances ranging from 2.66–3.38 Å. In the fourth Ta site, Ta is bonded in a 2-coordinate geometry to fifteen Ta atoms. There are a spread of Ta–Ta bond distances ranging from 2.82–3.37 Å. In the fifth Ta site, Ta is bonded in a 2-coordinate geometry to fourteen Ta atoms. There are a spread of Ta–Ta bond distances ranging from 2.96–3.24 Å. In the sixth Ta site, Ta is bonded to twelve Ta atoms to form a mixture of corner, edge, and face-sharing TaTa12 cuboctahedra. The Ta–Ta bond length is 2.76 Å. In the seventh Ta site, Ta is bonded to twelve Ta atoms to form a mixture of corner, edge, and face-sharing TaTa12 cuboctahedra. In the eighth Ta site, Ta is bonded in a 6-coordinate geometry to fourteen Ta atoms. There are a spread of Ta–Ta bond distances ranging from 2.74–3.31 Å.},
doi = {10.17188/1275267},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2017},
month = {7}
}