U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nb6GaSi by Materials Project
Abstract
Nb6GaSi crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Nb is bonded in a 6-coordinate geometry to two equivalent Nb, two equivalent Ga, and two equivalent Si atoms. There are one shorter (2.51 Å) and one longer (2.65 Å) Nb–Nb bond lengths. Both Nb–Ga bond lengths are 2.90 Å. Both Nb–Si bond lengths are 2.87 Å. Ga is bonded to twelve equivalent Nb atoms to form GaNb12 cuboctahedra that share edges with six equivalent GaNb12 cuboctahedra and faces with eight equivalent SiNb12 cuboctahedra. Si is bonded to twelve equivalent Nb atoms to form SiNb12 cuboctahedra that share edges with six equivalent SiNb12 cuboctahedra and faces with eight equivalent GaNb12 cuboctahedra.
- Publication Date:
- Other Number(s):
- mp-1220366
- 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; Ga-Nb-Si; Nb6GaSi; crystal structure
- OSTI Identifier:
- 1710760
- DOI:
- https://doi.org/10.17188/1710760
Citation Formats
Materials Data on Nb6GaSi by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1710760.
Materials Data on Nb6GaSi by Materials Project. United States. doi:https://doi.org/10.17188/1710760
2020.
"Materials Data on Nb6GaSi by Materials Project". United States. doi:https://doi.org/10.17188/1710760. https://www.osti.gov/servlets/purl/1710760. Pub date:Sun May 03 00:00:00 EDT 2020
@article{osti_1710760,
title = {Materials Data on Nb6GaSi by Materials Project},
abstractNote = {Nb6GaSi crystallizes in the cubic Pm-3 space group. The structure is three-dimensional. Nb is bonded in a 6-coordinate geometry to two equivalent Nb, two equivalent Ga, and two equivalent Si atoms. There are one shorter (2.51 Å) and one longer (2.65 Å) Nb–Nb bond lengths. Both Nb–Ga bond lengths are 2.90 Å. Both Nb–Si bond lengths are 2.87 Å. Ga is bonded to twelve equivalent Nb atoms to form GaNb12 cuboctahedra that share edges with six equivalent GaNb12 cuboctahedra and faces with eight equivalent SiNb12 cuboctahedra. Si is bonded to twelve equivalent Nb atoms to form SiNb12 cuboctahedra that share edges with six equivalent SiNb12 cuboctahedra and faces with eight equivalent GaNb12 cuboctahedra.},
doi = {10.17188/1710760},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {5}
}
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