Materials Data on Gd2AsO5 by Materials Project

Abstract

Gd2AsO5 crystallizes in the tetragonal P4/n space group. The structure is three-dimensional. Gd is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Gd–O bond distances ranging from 2.29–2.62 Å. There are two inequivalent As sites. In the first As site, As is bonded in a distorted square co-planar geometry to four equivalent O atoms. All As–O bond lengths are 1.84 Å. In the second As site, As is bonded in a distorted square co-planar geometry to four equivalent O atoms. All As–O bond lengths are 1.83 Å. There are four inequivalent O sites. In the first O site, O is bonded to three equivalent Gd and one As atom to form a mixture of distorted edge and corner-sharing OGd3As tetrahedra. In the second O site, O is bonded in a 4-coordinate geometry to three equivalent Gd and one As atom. In the third O site, O is bonded to four equivalent Gd atoms to form OGd4 tetrahedra that share corners with four equivalent OGd3As tetrahedra and edges with six OGd4 tetrahedra. In the fourth O site, O is bonded to four equivalent Gd atoms to form OGd4 tetrahedra that share corners with twelve equivalent OGd3As tetrahedra and edges with two equivalent OGd4 tetrahedra.