U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Pa3Ta by Materials Project
Abstract
Pa3Ta is alpha Samarium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa is bonded to eight equivalent Pa and four equivalent Ta atoms to form PaPa8Ta4 cuboctahedra that share corners with four equivalent TaPa12 cuboctahedra, corners with fourteen equivalent PaPa8Ta4 cuboctahedra, edges with six equivalent TaPa12 cuboctahedra, edges with twelve equivalent PaPa8Ta4 cuboctahedra, faces with four equivalent TaPa12 cuboctahedra, and faces with sixteen equivalent PaPa8Ta4 cuboctahedra. There are a spread of Pa–Pa bond distances ranging from 3.01–3.36 Å. There are two shorter (3.13 Å) and two longer (3.28 Å) Pa–Ta bond lengths. Ta is bonded to twelve equivalent Pa atoms to form TaPa12 cuboctahedra that share corners with six equivalent TaPa12 cuboctahedra, corners with twelve equivalent PaPa8Ta4 cuboctahedra, edges with eighteen equivalent PaPa8Ta4 cuboctahedra, faces with eight equivalent TaPa12 cuboctahedra, and faces with twelve equivalent PaPa8Ta4 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-973815
- 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; Pa-Ta; Pa3Ta; crystal structure
- OSTI Identifier:
- 1314217
- DOI:
- https://doi.org/10.17188/1314217
Citation Formats
Materials Data on Pa3Ta by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1314217.
Materials Data on Pa3Ta by Materials Project. United States. doi:https://doi.org/10.17188/1314217
2020.
"Materials Data on Pa3Ta by Materials Project". United States. doi:https://doi.org/10.17188/1314217. https://www.osti.gov/servlets/purl/1314217. Pub date:Mon Jul 20 00:00:00 EDT 2020
@article{osti_1314217,
title = {Materials Data on Pa3Ta by Materials Project},
abstractNote = {Pa3Ta is alpha Samarium-derived structured and crystallizes in the hexagonal P6_3/mmc space group. The structure is three-dimensional. Pa is bonded to eight equivalent Pa and four equivalent Ta atoms to form PaPa8Ta4 cuboctahedra that share corners with four equivalent TaPa12 cuboctahedra, corners with fourteen equivalent PaPa8Ta4 cuboctahedra, edges with six equivalent TaPa12 cuboctahedra, edges with twelve equivalent PaPa8Ta4 cuboctahedra, faces with four equivalent TaPa12 cuboctahedra, and faces with sixteen equivalent PaPa8Ta4 cuboctahedra. There are a spread of Pa–Pa bond distances ranging from 3.01–3.36 Å. There are two shorter (3.13 Å) and two longer (3.28 Å) Pa–Ta bond lengths. Ta is bonded to twelve equivalent Pa atoms to form TaPa12 cuboctahedra that share corners with six equivalent TaPa12 cuboctahedra, corners with twelve equivalent PaPa8Ta4 cuboctahedra, edges with eighteen equivalent PaPa8Ta4 cuboctahedra, faces with eight equivalent TaPa12 cuboctahedra, and faces with twelve equivalent PaPa8Ta4 cuboctahedra.},
doi = {10.17188/1314217},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}