Materials Data on Nb3Au2 by Materials Project
Au2Nb3 crystallizes in the tetragonal I4/mmm space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a 10-coordinate geometry to eight equivalent Nb and two equivalent Au atoms. All Nb–Nb bond lengths are 2.87 Å. Both Nb–Au bond lengths are 3.07 Å. In the second Nb site, Nb is bonded in a 10-coordinate geometry to four equivalent Nb and five equivalent Au atoms. There are four shorter (2.87 Å) and one longer (3.11 Å) Nb–Au bond lengths. Au is bonded in a 10-coordinate geometry to six Nb and four equivalent Au atoms. All Au–Au bond lengths are 2.89 Å.
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