Materials Data on Nb2SbO6 by Materials Project

Abstract

Nb2SbO6 crystallizes in the monoclinic C2/c space group. The structure is three-dimensional. Nb+4.50+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing NbO6 octahedra. The corner-sharing octahedra tilt angles range from 37–54°. There are a spread of Nb–O bond distances ranging from 1.88–2.22 Å. Sb3+ is bonded in a distorted rectangular see-saw-like geometry to four equivalent O2- atoms. There are two shorter (2.04 Å) and two longer (2.24 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 three equivalent Nb+4.50+ atoms. In the second O2- site, O2- is bonded in a bent 150 degrees geometry to two equivalent Nb+4.50+ atoms. In the third O2- site, O2- is bonded in a distorted trigonal planar geometry to one Nb+4.50+ and two equivalent Sb3+ atoms.