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Materials Data on Nb5Ga3 by Materials Project

Dataset ·
DOI:https://doi.org/10.17188/1666487· OSTI ID:1666487
Nb5Ga3 crystallizes in the hexagonal P6_3/mcm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 8-coordinate geometry to two equivalent Nb and six equivalent Ga atoms. Both Nb–Nb bond lengths are 2.65 Å. All Nb–Ga bond lengths are 2.74 Å. In the second Nb site, Nb is bonded in a 5-coordinate geometry to five equivalent Ga atoms. There are a spread of Nb–Ga bond distances ranging from 2.69–2.90 Å. Ga is bonded in a 9-coordinate geometry to nine Nb atoms.
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:
1666487
Report Number(s):
mp-1105552
Country of Publication:
United States
Language:
English

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