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DOE OSTI2020

Materials Data on Ta5Sb4 by Materials Project

Ta5Sb4 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 9-coordinate geometry to four equivalent Ta and five equivalent Sb atoms. All Ta–Ta bond lengths are 2.89 Å. There are a spread of Ta–Sb bond distances ranging from 2.89–3.12 Å. In the second Ta site, Ta is bonded in a body-centered cubic geometry to eight equivalent Sb atoms. All Ta–Sb bond lengths are 2.88 Å. Sb is bonded in a 7-coordinate geometry to seven Ta atoms.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Materials Data on TaSb3 by Materials Project

TaSb3 is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Ta3+ is bonded in a distorted body-centered cubic geometry to fourteen Sb1- atoms. There are eight shorter (3.12 Å) and six longer (3.60 Å) Ta–Sb bond lengths. There are two inequivalent Sb1- sites. In the first Sb1- site, Sb1- is bonded in a distorted body-centered cubic geometry to four equivalent Ta3+ and four equivalent Sb1- atoms. All Sb–Sb bond lengths are 3.12 Å. In the second Sb1- site, Sb1- is bonded in a 8-coordinate geometry to six equivalent Ta3+ and eight equivalent Sb1- atoms.

36 MATERIALS SCIENCE↗