U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nb5Ga3 by Materials Project
Abstract
Nb5Ga3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Nb–Ga bond distances ranging from 2.74–2.96 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to two equivalent Nb and four equivalent Ga atoms. Both Nb–Nb bond lengths are 2.55 Å. All Nb–Ga bond lengths are 2.74 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted q6 geometry to ten Nb atoms. In the second Ga site, Ga is bonded in a 10-coordinate geometry to eight equivalent Nb and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.55 Å.
- Publication Date:
- Other Number(s):
- mp-570293
- 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; Nb5Ga3; crystal structure
- OSTI Identifier:
- 1275625
- DOI:
- https://doi.org/10.17188/1275625
Citation Formats
Materials Data on Nb5Ga3 by Materials Project. United States: N. p., 2020.
Web. doi:10.17188/1275625.
Materials Data on Nb5Ga3 by Materials Project. United States. doi:https://doi.org/10.17188/1275625
2020.
"Materials Data on Nb5Ga3 by Materials Project". United States. doi:https://doi.org/10.17188/1275625. https://www.osti.gov/servlets/purl/1275625. Pub date:Wed Jul 15 00:00:00 EDT 2020
@article{osti_1275625,
title = {Materials Data on Nb5Ga3 by Materials Project},
abstractNote = {Nb5Ga3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 6-coordinate geometry to six Ga atoms. There are a spread of Nb–Ga bond distances ranging from 2.74–2.96 Å. In the second Nb site, Nb is bonded in a 6-coordinate geometry to two equivalent Nb and four equivalent Ga atoms. Both Nb–Nb bond lengths are 2.55 Å. All Nb–Ga bond lengths are 2.74 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a distorted q6 geometry to ten Nb atoms. In the second Ga site, Ga is bonded in a 10-coordinate geometry to eight equivalent Nb and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.55 Å.},
doi = {10.17188/1275625},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2020},
month = {7}
}
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