U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nb6AlSb by Materials Project
Abstract
Nb6AlSb crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. there are three inequivalent Nb sites. In the first Nb site, Nb is bonded in a 6-coordinate geometry to ten Nb, two equivalent Al, and two equivalent Sb atoms. There are a spread of Nb–Nb bond distances ranging from 2.63–3.22 Å. Both Nb–Al bond lengths are 2.94 Å. Both Nb–Sb bond lengths are 2.94 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to ten Nb, two equivalent Al, and two equivalent Sb atoms. Both Nb–Nb bond lengths are 3.22 Å. Both Nb–Al bond lengths are 2.94 Å. Both Nb–Sb bond lengths are 2.94 Å. In the third Nb site, Nb is bonded in a 6-coordinate geometry to ten Nb, two equivalent Al, and two equivalent Sb atoms. Both Nb–Al bond lengths are 2.94 Å. Both Nb–Sb bond lengths are 2.94 Å. Al is bonded to twelve Nb atoms to form AlNb12 cuboctahedra that share edges with six equivalent AlNb12 cuboctahedra and faces with eight equivalent SbNb12 cuboctahedra. Sb is bonded to twelve Nb atoms to form SbNb12 cuboctahedra that share edges with six equivalent SbNb12 cuboctahedra and faces with eight equivalent AlNb12 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-1220337
- 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; Al-Nb-Sb; Nb6AlSb; crystal structure
- OSTI Identifier:
- 1738127
- DOI:
- https://doi.org/10.17188/1738127
Citation Formats
Materials Data on Nb6AlSb by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1738127.
Materials Data on Nb6AlSb by Materials Project. United States. doi:https://doi.org/10.17188/1738127
2020.
"Materials Data on Nb6AlSb by Materials Project". United States. doi:https://doi.org/10.17188/1738127. https://www.osti.gov/servlets/purl/1738127. Pub date:Mon May 04 04:00:00 UTC 2020
@article{osti_1738127,
title = {Materials Data on Nb6AlSb by Materials Project},
abstractNote = {Nb6AlSb crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. there are three inequivalent Nb sites. In the first Nb site, Nb is bonded in a 6-coordinate geometry to ten Nb, two equivalent Al, and two equivalent Sb atoms. There are a spread of Nb–Nb bond distances ranging from 2.63–3.22 Å. Both Nb–Al bond lengths are 2.94 Å. Both Nb–Sb bond lengths are 2.94 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to ten Nb, two equivalent Al, and two equivalent Sb atoms. Both Nb–Nb bond lengths are 3.22 Å. Both Nb–Al bond lengths are 2.94 Å. Both Nb–Sb bond lengths are 2.94 Å. In the third Nb site, Nb is bonded in a 6-coordinate geometry to ten Nb, two equivalent Al, and two equivalent Sb atoms. Both Nb–Al bond lengths are 2.94 Å. Both Nb–Sb bond lengths are 2.94 Å. Al is bonded to twelve Nb atoms to form AlNb12 cuboctahedra that share edges with six equivalent AlNb12 cuboctahedra and faces with eight equivalent SbNb12 cuboctahedra. Sb is bonded to twelve Nb atoms to form SbNb12 cuboctahedra that share edges with six equivalent SbNb12 cuboctahedra and faces with eight equivalent AlNb12 cuboctahedra.},
doi = {10.17188/1738127},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}