U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nb6AlGa by Materials Project
Abstract
Nb6GaAl crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. there are four inequivalent Nb sites. In the first Nb site, Nb is bonded in a 6-coordinate geometry to ten Nb, two equivalent Ga, and two equivalent Al atoms. There are a spread of Nb–Nb bond distances ranging from 2.55–3.18 Å. Both Nb–Ga bond lengths are 2.92 Å. Both Nb–Al bond lengths are 2.90 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to ten Nb, two equivalent Ga, and two equivalent Al atoms. There are a spread of Nb–Nb bond distances ranging from 2.55–3.18 Å. Both Nb–Ga bond lengths are 2.92 Å. Both Nb–Al bond lengths are 2.90 Å. In the third Nb site, Nb is bonded in a 6-coordinate geometry to ten Nb, two equivalent Ga, and two equivalent Al atoms. Both Nb–Nb bond lengths are 3.18 Å. Both Nb–Ga bond lengths are 2.92 Å. Both Nb–Al bond lengths are 2.90 Å. In the fourth Nb site, Nb is bonded in a 6-coordinate geometry to ten Nb, two equivalent Ga, and two equivalent Al atoms. Both Nb–Ga bond lengths are 2.92 Å. Both Nb–Al bond lengths are 2.90 Å. Ga is bondedmore »
- Authors:
- Publication Date:
- Other Number(s):
- mp-1220348
- 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; Nb6AlGa; Al-Ga-Nb
- OSTI Identifier:
- 1698650
- DOI:
- https://doi.org/10.17188/1698650
Citation Formats
The Materials Project. Materials Data on Nb6AlGa by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1698650.
The Materials Project. Materials Data on Nb6AlGa by Materials Project. United States. doi:https://doi.org/10.17188/1698650
The Materials Project. 2020.
"Materials Data on Nb6AlGa by Materials Project". United States. doi:https://doi.org/10.17188/1698650. https://www.osti.gov/servlets/purl/1698650. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1698650,
title = {Materials Data on Nb6AlGa by Materials Project},
author = {The Materials Project},
abstractNote = {Nb6GaAl crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. there are four inequivalent Nb sites. In the first Nb site, Nb is bonded in a 6-coordinate geometry to ten Nb, two equivalent Ga, and two equivalent Al atoms. There are a spread of Nb–Nb bond distances ranging from 2.55–3.18 Å. Both Nb–Ga bond lengths are 2.92 Å. Both Nb–Al bond lengths are 2.90 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to ten Nb, two equivalent Ga, and two equivalent Al atoms. There are a spread of Nb–Nb bond distances ranging from 2.55–3.18 Å. Both Nb–Ga bond lengths are 2.92 Å. Both Nb–Al bond lengths are 2.90 Å. In the third Nb site, Nb is bonded in a 6-coordinate geometry to ten Nb, two equivalent Ga, and two equivalent Al atoms. Both Nb–Nb bond lengths are 3.18 Å. Both Nb–Ga bond lengths are 2.92 Å. Both Nb–Al bond lengths are 2.90 Å. In the fourth Nb site, Nb is bonded in a 6-coordinate geometry to ten Nb, two equivalent Ga, and two equivalent Al atoms. Both Nb–Ga bond lengths are 2.92 Å. Both Nb–Al bond lengths are 2.90 Å. Ga is bonded to twelve Nb atoms to form GaNb12 cuboctahedra that share edges with six equivalent GaNb12 cuboctahedra and faces with eight equivalent AlNb12 cuboctahedra. Al is bonded to twelve Nb atoms to form AlNb12 cuboctahedra that share edges with six equivalent AlNb12 cuboctahedra and faces with eight equivalent GaNb12 cuboctahedra.},
doi = {10.17188/1698650},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}