U.S. Department of EnergyOffice of Scientific and Technical Information
Materials Data on Nb9Ni4Ge by Materials Project
Abstract
Nb9Ni4Ge is beta Uranium-derived structured and crystallizes in the tetragonal I4/mcm 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 two equivalent Nb and four equivalent Ni atoms. Both Nb–Nb bond lengths are 2.54 Å. All Nb–Ni bond lengths are 2.76 Å. In the second Nb site, Nb is bonded in a 7-coordinate geometry to two Nb and five Ni atoms. There are one shorter (2.57 Å) and one longer (2.66 Å) Nb–Nb bond lengths. There are a spread of Nb–Ni bond distances ranging from 2.77–2.85 Å. In the third Nb site, Nb is bonded in a 6-coordinate geometry to one Nb, three Ni, and two equivalent Ge atoms. There are two shorter (2.76 Å) and one longer (2.77 Å) Nb–Ni bond lengths. Both Nb–Ge bond lengths are 2.76 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to eight Nb and four Ni atoms to form NiNb8Ni4 cuboctahedra that share corners with six NiNb8Ni4 cuboctahedra and faces with six NiNb10Ni2 cuboctahedra. There are two shorter (2.54 Å) and two longer (2.56 Å) Ni–Ni bond lengths. In themore »
- Publication Date:
- Other Number(s):
- mp-1193661
- 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; Ge-Nb-Ni; Nb9Ni4Ge; crystal structure
- OSTI Identifier:
- 1700423
- DOI:
- https://doi.org/10.17188/1700423
Citation Formats
Materials Data on Nb9Ni4Ge by Materials Project. United States: N. p., 2019.
Web. doi:10.17188/1700423.
Materials Data on Nb9Ni4Ge by Materials Project. United States. doi:https://doi.org/10.17188/1700423
2019.
"Materials Data on Nb9Ni4Ge by Materials Project". United States. doi:https://doi.org/10.17188/1700423. https://www.osti.gov/servlets/purl/1700423. Pub date:Fri Jan 11 04:00:00 UTC 2019
@article{osti_1700423,
title = {Materials Data on Nb9Ni4Ge by Materials Project},
abstractNote = {Nb9Ni4Ge is beta Uranium-derived structured and crystallizes in the tetragonal I4/mcm 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 two equivalent Nb and four equivalent Ni atoms. Both Nb–Nb bond lengths are 2.54 Å. All Nb–Ni bond lengths are 2.76 Å. In the second Nb site, Nb is bonded in a 7-coordinate geometry to two Nb and five Ni atoms. There are one shorter (2.57 Å) and one longer (2.66 Å) Nb–Nb bond lengths. There are a spread of Nb–Ni bond distances ranging from 2.77–2.85 Å. In the third Nb site, Nb is bonded in a 6-coordinate geometry to one Nb, three Ni, and two equivalent Ge atoms. There are two shorter (2.76 Å) and one longer (2.77 Å) Nb–Ni bond lengths. Both Nb–Ge bond lengths are 2.76 Å. There are two inequivalent Ni sites. In the first Ni site, Ni is bonded to eight Nb and four Ni atoms to form NiNb8Ni4 cuboctahedra that share corners with six NiNb8Ni4 cuboctahedra and faces with six NiNb10Ni2 cuboctahedra. There are two shorter (2.54 Å) and two longer (2.56 Å) Ni–Ni bond lengths. In the second Ni site, Ni is bonded to ten Nb and two equivalent Ni atoms to form NiNb10Ni2 cuboctahedra that share corners with six NiNb8Ni4 cuboctahedra, edges with three equivalent NiNb10Ni2 cuboctahedra, and faces with eight NiNb10Ni2 cuboctahedra. Ge is bonded in a 10-coordinate geometry to eight equivalent Nb and two equivalent Ge atoms. Both Ge–Ge bond lengths are 2.54 Å.},
doi = {10.17188/1700423},
journal = {},
number = ,
volume = ,
place = {United States},
year = {2019},
month = {1}
}