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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on TaSb2 by Materials Project

TaSb2 crystallizes in the monoclinic C2/m space group. The structure is three-dimensional. Ta5+ is bonded in a 8-coordinate geometry to eight Sb+2.50- atoms. There are a spread of Ta–Sb bond distances ranging from 2.87–3.01 Å. There are two inequivalent Sb+2.50- sites. In the first Sb+2.50- site, Sb+2.50- is bonded in a 3-coordinate geometry to three equivalent Ta5+ and three equivalent Sb+2.50- atoms. There are one shorter (2.82 Å) and two longer (3.07 Å) Sb–Sb bond lengths. In the second Sb+2.50- site, Sb+2.50- is bonded in a 5-coordinate geometry to five equivalent Ta5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta3Sb by Materials Project

Ta3Sb crystallizes in the cubic Pm-3n space group. The structure is three-dimensional. Ta is bonded in a 6-coordinate geometry to two equivalent Ta and four equivalent Sb atoms. Both Ta–Ta bond lengths are 2.65 Å. All Ta–Sb bond lengths are 2.96 Å. Sb is bonded to twelve equivalent Ta atoms to form a mixture of edge and face-sharing SbTa12 cuboctahedra.

36 MATERIALS SCIENCE↗
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↗