Materials Data on RbZnSClO4 by Materials Project

Abstract

RbZnSO4Cl crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to five O2- and three equivalent Cl1- atoms. There are a spread of Rb–O bond distances ranging from 2.97–3.16 Å. There are a spread of Rb–Cl bond distances ranging from 3.40–3.47 Å. Zn2+ is bonded to three O2- and one Cl1- atom to form ZnClO3 tetrahedra that share corners with three equivalent SO4 tetrahedra. There are a spread of Zn–O bond distances ranging from 1.99–2.01 Å. The Zn–Cl bond length is 2.21 Å. S6+ is bonded to four O2- atoms to form SO4 tetrahedra that share corners with three equivalent ZnClO3 tetrahedra. There are a spread of S–O bond distances ranging from 1.46–1.51 Å. There are four inequivalent O2- sites. In the first O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Zn2+, and one S6+ atom. In the second O2- site, O2- is bonded in a distorted bent 120 degrees geometry to one Rb1+, one Zn2+, and one S6+ atom. In the third O2- site, O2- is bonded in a 2-coordinate geometry to one Rb1+, one Zn2+, and one S6+ atom. In the fourth O2- site, O2- is bonded in a distorted single-bond geometry to two equivalent Rb1+ and one S6+ atom. Cl1- is bonded in a distorted single-bond geometry to three equivalent Rb1+ and one Zn2+ atom.