Materials Data on Nb9Ni4Ge by Materials Project
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.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). LBNL Materials Project
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES)
- Contributing Organization:
- MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231; EDCBEE
- OSTI ID:
- 1700423
- Report Number(s):
- mp-1193661
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Ta6Cr3Ni3C2 by Materials Project
Materials Data on Nb9Fe3Ge2 by Materials Project