Materials Data on InAsO6 by Materials Project

Abstract

InAsO6 crystallizes in the orthorhombic Pbca space group. The structure is three-dimensional. In is bonded to six O atoms to form InO6 octahedra that share corners with four equivalent AsO4 tetrahedra. There are a spread of In–O bond distances ranging from 2.15–2.28 Å. As is bonded to four O atoms to form AsO4 tetrahedra that share corners with four equivalent InO6 octahedra. The corner-sharing octahedra tilt angles range from 51–59°. There are a spread of As–O bond distances ranging from 1.71–1.74 Å. There are six inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one In and one As atom. In the second O site, O is bonded in a single-bond geometry to one In atom. In the third O site, O is bonded in a bent 120 degrees geometry to one In and one As atom. In the fourth O site, O is bonded in a single-bond geometry to one In atom. In the fifth O site, O is bonded in a bent 120 degrees geometry to one In and one As atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one In and one As atom.