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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Re2SbO6 by Materials Project

SbRe2O6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Re+4.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing ReO6 octahedra. The corner-sharing octahedra tilt angles range from 34–43°. There are a spread of Re–O bond distances ranging from 1.94–2.05 Å. Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.05 Å) and two longer (2.21 Å) Sb–O bond lengths. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Re+4.50+ and two equivalent Sb3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Re+4.50+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Re+4.50+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ReSbO3 by Materials Project

ReSbO3 is (Cubic) Perovskite structured and crystallizes in the cubic Pm-3m space group. The structure is three-dimensional. Re3+ is bonded to six equivalent O2- atoms to form ReO6 octahedra that share corners with six equivalent ReO6 octahedra and faces with eight equivalent SbO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Re–O bond lengths are 2.00 Å. Sb3+ is bonded to twelve equivalent O2- atoms to form SbO12 cuboctahedra that share corners with twelve equivalent SbO12 cuboctahedra, faces with six equivalent SbO12 cuboctahedra, and faces with eight equivalent ReO6 octahedra. All Sb–O bond lengths are 2.82 Å. O2- is bonded in a linear geometry to two equivalent Re3+ and four equivalent Sb3+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on ReSbO6 by Materials Project

ReSbO6 crystallizes in the monoclinic P2_1/m space group. The structure is three-dimensional. Re7+ is bonded to six O2- atoms to form ReO6 octahedra that share corners with two equivalent ReO6 octahedra and corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 28–32°. There is four shorter (1.87 Å) and two longer (1.90 Å) Re–O bond length. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent SbO6 octahedra and corners with four equivalent ReO6 octahedra. The corner-sharing octahedra tilt angles range from 31–38°. There are a spread of Sb–O bond distances ranging from 1.95–2.02 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to one Re7+ and one Sb5+ atom. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to one Re7+ and one Sb5+ atom. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Sb5+ atoms. In the fourth O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Re7+ atoms.

36 MATERIALS SCIENCE↗