Materials Data on SbAsO5 by Materials Project

Abstract

SbAsO5 crystallizes in the orthorhombic P2_12_12_1 space group. The structure is three-dimensional. Sb5+ is bonded to six O2- atoms to form SbO6 octahedra that share corners with four equivalent AsO4 tetrahedra and edges with two equivalent SbO6 octahedra. There are a spread of Sb–O bond distances ranging from 1.96–2.19 Å. As5+ is bonded to four O2- atoms to form AsO4 tetrahedra that share corners with four equivalent SbO6 octahedra. The corner-sharing octahedra tilt angles range from 42–60°. There are a spread of As–O bond distances ranging from 1.63–1.88 Å. There are five inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent Sb5+ atoms. In the second O2- site, O2- is bonded in a 3-coordinate geometry to two equivalent Sb5+ and one As5+ atom. In the third O2- site, O2- is bonded in a single-bond geometry to one As5+ atom. In the fourth O2- site, O2- is bonded in a bent 120 degrees geometry to one Sb5+ and one As5+ atom. In the fifth O2- site, O2- is bonded in a bent 120 degrees geometry to one Sb5+ and one As5+ atom.