Materials Data on Zr4NbGa3 by Materials Project
Zr4NbGa3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Zr is bonded in a 6-coordinate geometry to two equivalent Nb and six Ga atoms. Both Zr–Nb bond lengths are 3.43 Å. There are a spread of Zr–Ga bond distances ranging from 2.87–3.09 Å. Nb is bonded in a 6-coordinate geometry to eight equivalent Zr, two equivalent Nb, and four equivalent Ga atoms. Both Nb–Nb bond lengths are 2.67 Å. All Nb–Ga bond lengths are 2.77 Å. There are two inequivalent Ga sites. In the first Ga site, Ga is bonded in a 10-coordinate geometry to eight equivalent Zr and two equivalent Nb atoms. In the second Ga site, Ga is bonded in a 10-coordinate geometry to eight equivalent Zr and two equivalent Ga atoms. Both Ga–Ga bond lengths are 2.67 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:
- 1651998
- Report Number(s):
- mp-1105702
- Resource Relation:
- Related Information: https://materialsproject.org/citing
- Country of Publication:
- United States
- Language:
- English
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