Materials Data on Gd(SO4)3 by Materials Project

Abstract

Gd(SO4)3 crystallizes in the orthorhombic Pbca space group. The structure is two-dimensional and consists of two Gd(SO4)3 sheets oriented in the (0, 0, 1) direction. Gd is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Gd–O bond distances ranging from 2.35–2.44 Å. There are three inequivalent S sites. In the first S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.47–1.49 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.48 Å) and one longer (1.49 Å) S–O bond length. In the third S site, S is bonded in a tetrahedral geometry to four O atoms. There is three shorter (1.48 Å) and one longer (1.49 Å) S–O bond length. There are twelve inequivalent O sites. In the first O site, O is bonded in a bent 150 degrees geometry to one Gd and one S atom. In the second O site, O is bonded in a distorted bent 150 degrees geometry to one Gd and one S atom. In the third O site, O is bonded in a distorted bent 150 degrees geometry to one Gd and one S atom. In the fourth O site, O is bonded in a single-bond geometry to one S atom. In the fifth O site, O is bonded in a single-bond geometry to one S atom. In the sixth O site, O is bonded in a single-bond geometry to one S atom. In the seventh O site, O is bonded in a single-bond geometry to one S atom. In the eighth O site, O is bonded in a distorted bent 150 degrees geometry to one Gd and one S atom. In the ninth O site, O is bonded in a distorted bent 150 degrees geometry to one Gd and one S atom. In the tenth O site, O is bonded in a linear geometry to one Gd and one S atom. In the eleventh O site, O is bonded in a distorted bent 150 degrees geometry to one Gd and one S atom. In the twelfth O site, O is bonded in a distorted bent 150 degrees geometry to one Gd and one S atom.