Materials Data on Nb3Cu by Materials Project
CuNb3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Nb sites. In the first Nb site, Nb is bonded in a distorted body-centered cubic geometry to four equivalent Nb and four equivalent Cu atoms. All Nb–Nb bond lengths are 2.80 Å. All Nb–Cu bond lengths are 2.80 Å. In the second Nb site, Nb is bonded in a 8-coordinate geometry to eight equivalent Nb and six equivalent Cu atoms. All Nb–Cu bond lengths are 3.24 Å. Cu is bonded in a distorted body-centered cubic geometry to fourteen Nb atoms.
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