Materials Data on RbSm(SO6)2 by Materials Project

Abstract

RbSm(SO6)2 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb is bonded in a 7-coordinate geometry to seven O atoms. There are a spread of Rb–O bond distances ranging from 2.88–3.35 Å. Sm is bonded in a 8-coordinate geometry to eight O atoms. There are a spread of Sm–O bond distances ranging from 2.33–2.66 Å. There are two 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 1.45–1.52 Å. In the second S site, S is bonded in a tetrahedral geometry to four O atoms. There are a spread of S–O bond distances ranging from 1.45–1.53 Å. There are twelve inequivalent O sites. In the first O site, O is bonded in a bent 120 degrees geometry to one Rb and one O atom. The O–O bond length is 1.26 Å. In the second O site, O is bonded in a single-bond geometry to one Rb and one S atom. In the third O site, O is bonded in a distorted water-like geometry to one Sm and one S atom. In the fourth O site, O is bonded in a distorted linear geometry to one Sm and one S atom. In the fifth O site, O is bonded in a distorted bent 150 degrees geometry to one Sm and one S atom. In the sixth O site, O is bonded in a bent 120 degrees geometry to one Rb and one Sm atom. In the seventh O site, O is bonded in a 4-coordinate geometry to two equivalent Rb, one Sm, and one S atom. In the eighth O site, O is bonded in a distorted water-like geometry to one Sm and one S atom. In the ninth O site, O is bonded in a single-bond geometry to one S atom. In the tenth O site, O is bonded in a distorted single-bond geometry to two equivalent Rb, one Sm, and one S atom. In the eleventh O site, O is bonded in a bent 120 degrees geometry to two O atoms. The O–O bond length is 1.32 Å. In the twelfth O site, O is bonded in a water-like geometry to one Sm and one O atom.