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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sb2O5 by Materials Project

Sb2O5 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 43–54°. There are a spread of Sb–O bond distances ranging from 1.93–2.14 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 120 degrees geometry to two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to three equivalent Sb5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sb2O5 by Materials Project

Sb2O5 crystallizes in the trigonal R-3m space group. The structure is three-dimensional. there are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded in a 3-coordinate geometry to six O2- atoms. There are three shorter (2.13 Å) and three longer (2.72 Å) Sb–O bond lengths. In the second Sb5+ site, Sb5+ is bonded in a 3-coordinate geometry to six O2- atoms. There are three shorter (2.13 Å) and three longer (2.72 Å) Sb–O bond lengths. There are six inequivalent O2- sites. In the first O2- site, O2- is bonded to six O2- atoms to form corner-sharing OO6 octahedra. The corner-sharing octahedral tilt angles are 38°. All O–O bond lengths are 2.07 Å. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two Sb5+ and two equivalent O2- atoms. In the third O2- site, O2- is bonded to six equivalent Sb5+ atoms to form distorted edge-sharing OSb6 octahedra. In the fourth O2- site, O2- is bonded to six equivalent O2- atoms to form corner-sharing OO6 octahedra. The corner-sharing octahedral tilt angles are 38°. All O–O bond lengths are 2.08 Å. In the fifth O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Sb5+ and two O2- atoms. In the sixth O2- site, O2- is bonded to six Sb5+ atoms to form distorted edge-sharing OSb6 octahedra.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sb2O5 by Materials Project

Sb2O5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. there are two inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with three equivalent SbO5 trigonal bipyramids, an edgeedge with one SbO6 octahedra, and an edgeedge with one SbO5 trigonal bipyramid. There are a spread of Sb–O bond distances ranging from 1.99–2.15 Å. In the second Sb5+ site, Sb5+ is bonded to five O2- atoms to form distorted SbO5 trigonal bipyramids that share corners with three equivalent SbO6 octahedra, an edgeedge with one SbO6 octahedra, and an edgeedge with one SbO5 trigonal bipyramid. The corner-sharing octahedra tilt angles range from 41–63°. There are a spread of Sb–O bond distances ranging from 1.92–2.15 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in an L-shaped geometry to two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded in a bent 120 degrees geometry to two Sb5+ atoms. In the third O2- site, O2- is bonded in a bent 150 degrees geometry to two Sb5+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal non-coplanar geometry to three Sb5+ atoms. In the fifth O2- site, O2- is bonded in a water-like geometry to two Sb5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sb2O5 by Materials Project

Sb2O5 crystallizes in the orthorhombic Pbam space group. The structure is three-dimensional. Sb5+ is bonded to five O2- atoms to form distorted corner-sharing SbO5 trigonal bipyramids. There are a spread of Sb–O bond distances ranging from 1.92–2.01 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded in a linear geometry to two equivalent Sb5+ atoms.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sb2O5 by Materials Project

Sb2O5 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Sb5+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing SbO6 octahedra. The corner-sharing octahedra tilt angles range from 4–29°. There are a spread of Sb–O bond distances ranging from 1.92–2.13 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a linear geometry to two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded in a linear geometry to two equivalent Sb5+ atoms. In the third O2- site, O2- is bonded in a 3-coordinate geometry to three equivalent Sb5+ atoms.

36 MATERIALS SCIENCE↗