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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 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↗