DOE OSTI2020
V(SbO3)4 crystallizes in the triclinic P1 space group. The structure is three-dimensional. V4+ is bonded to six O2- atoms to form distorted VO6 octahedra that share corners with three SbO6 octahedra, edges with three SbO6 octahedra, and a faceface with one SbO6 octahedra. The corner-sharing octahedra tilt angles range from 52–62°. There are a spread of V–O bond distances ranging from 1.82–2.08 Å. There are four inequivalent Sb5+ sites. In the first Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six SbO6 octahedra and an edgeedge with one VO6 octahedra. The corner-sharing octahedra tilt angles range from 34–49°. There are a spread of Sb–O bond distances ranging from 1.93–2.23 Å. In the second Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with six SbO6 octahedra and edges with two equivalent VO6 octahedra. The corner-sharing octahedra tilt angles range from 38–52°. There are a spread of Sb–O bond distances ranging from 1.93–2.11 Å. In the third Sb5+ site, Sb5+ is bonded to six O2- atoms to form distorted SbO6 octahedra that share a cornercorner with one VO6 octahedra, corners with six SbO6 octahedra, and a faceface with one VO6 octahedra. The corner-sharing octahedra tilt angles range from 34–52°. There are a spread of Sb–O bond distances ranging from 1.93–2.20 Å. In the fourth Sb5+ site, Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with two equivalent VO6 octahedra and corners with six SbO6 octahedra. The corner-sharing octahedra tilt angles range from 35–62°. There are a spread of Sb–O bond distances ranging from 1.94–2.16 Å. There are twelve inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted T-shaped geometry to one V4+ and two 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 distorted bent 150 degrees geometry to two Sb5+ atoms. In the fourth O2- site, O2- is bonded in a distorted trigonal planar geometry to one V4+ and two Sb5+ atoms. In the fifth O2- site, O2- is bonded in a bent 150 degrees geometry to two Sb5+ atoms. In the sixth O2- site, O2- is bonded in a distorted bent 120 degrees geometry to two Sb5+ atoms. In the seventh O2- site, O2- is bonded in a distorted trigonal planar geometry to one V4+ and two Sb5+ atoms. In the eighth O2- site, O2- is bonded in a 3-coordinate geometry to one V4+ and two Sb5+ atoms. In the ninth O2- site, O2- is bonded in a distorted T-shaped geometry to one V4+ and two Sb5+ atoms. In the tenth O2- site, O2- is bonded in a bent 150 degrees geometry to two Sb5+ atoms. In the eleventh O2- site, O2- is bonded in a T-shaped geometry to one V4+ and two Sb5+ atoms. In the twelfth O2- site, O2- is bonded in a bent 150 degrees geometry to two Sb5+ atoms.