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 corner-sharing TaO6 octahedra. The corner-sharing octahedral tilt angles are 37°. There are a spread of Ta–O bond distances ranging from 1.92–2.06 Å. Sb3+ is bonded in a 4-coordinate geometry to four equivalent O2- atoms. There are two shorter (2.05 Å) and two longer (2.26 Å) Sb–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a distorted trigonal planar geometry to one Ta5+ and two equivalent Sb3+ atoms. In the second O2- site, O2- is bonded in a distorted bent 150 degrees geometry to two equivalent Ta5+ atoms.