Materials Data on NdTa3 by Materials Project
NdTa3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Nd is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms. There are eight shorter (3.00 Å) and six longer (3.47 Å) Nd–Ta bond lengths. There are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 8-coordinate geometry to four equivalent Nd and four equivalent Ta atoms. All Ta–Ta bond lengths are 3.00 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to six equivalent Nd and eight equivalent Ta atoms.
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