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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Ta3Ru by Materials Project

Ta3Ru is alpha bismuth trifluoride structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded to four equivalent Ta and four equivalent Ru atoms to form a mixture of distorted edge, corner, and face-sharing TaTa4Ru4 tetrahedra. All Ta–Ta bond lengths are 2.80 Å. All Ta–Ru bond lengths are 2.80 Å. In the second Ta site, Ta is bonded in a 8-coordinate geometry to eight equivalent Ta and six equivalent Ru atoms. All Ta–Ru bond lengths are 3.24 Å. Ru is bonded in a distorted body-centered cubic geometry to fourteen Ta atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Ta3Ru by Materials Project

Ta3Ru crystallizes in the orthorhombic Cmmm space group. The structure is three-dimensional. there are two inequivalent Ta sites. In the first Ta site, Ta is bonded in a 2-coordinate geometry to two equivalent Ta and two equivalent Ru atoms. Both Ta–Ta bond lengths are 2.86 Å. Both Ta–Ru bond lengths are 2.67 Å. In the second Ta site, Ta is bonded in a distorted body-centered cubic geometry to eight Ta atoms. All Ta–Ta bond lengths are 2.88 Å. Ru is bonded in a 4-coordinate geometry to four equivalent Ta atoms.

36 MATERIALS SCIENCE↗