Materials Data on Nb3Au by Materials Project
Nb3Au crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 2-coordinate geometry to two equivalent Nb and four equivalent Au atoms. Both Nb–Nb bond lengths are 2.92 Å. There are two shorter (2.91 Å) and two longer (3.21 Å) Nb–Au bond lengths. In the second Nb site, Nb is bonded in a distorted body-centered cubic geometry to eight Nb atoms. All Nb–Nb bond lengths are 2.83 Å. Au is bonded to eight equivalent Nb and four equivalent Au atoms to form a mixture of distorted face and corner-sharing AuNb8Au4 cuboctahedra. All Au–Au bond lengths are 2.83 Å.
- Research Organization:
- LBNL Materials Project; Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- USDOE Office of Science (SC), Basic Energy Sciences (BES) (SC-22)
- Contributing Organization:
- The Materials Project; MIT; UC Berkeley; Duke; U Louvain
- DOE Contract Number:
- AC02-05CH11231
- OSTI ID:
- 1751254
- Report Number(s):
- mp-1220645
- Country of Publication:
- United States
- Language:
- English
Similar Records
Materials Data on Nb4Al by Materials Project
Materials Data on Nb3In by Materials Project
Materials Data on Nb12IrAu3 by Materials Project
Dataset
·
Tue May 05 00:00:00 EDT 2020
·
OSTI ID:1697497
Materials Data on Nb3In by Materials Project
Dataset
·
Sun May 03 00:00:00 EDT 2020
·
OSTI ID:1747428
Materials Data on Nb12IrAu3 by Materials Project
Dataset
·
Sat May 02 00:00:00 EDT 2020
·
OSTI ID:1678652