Materials Data on TaSbO4 by Materials Project

Abstract

SbTaO4 crystallizes in the orthorhombic Pnna space group. The structure is three-dimensional. Ta5+ is bonded to six O2- atoms to form edge-sharing TaO6 octahedra. There are four shorter (1.98 Å) and two longer (2.11 Å) Ta–O bond lengths. Sb3+ is bonded in a 6-coordinate geometry to six O2- atoms. There are a spread of Sb–O bond distances ranging from 2.05–2.60 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Ta5+ and one Sb3+ atom. In the second O2- site, O2- is bonded in a 2-coordinate geometry to one Ta5+ and two equivalent Sb3+ atoms.