Materials Data on Sr4Ru6ClO18 by Materials Project

Abstract

Sr4Ru6ClO18 crystallizes in the cubic I23 space group. The structure is three-dimensional. Sr2+ is bonded in a 10-coordinate geometry to nine O2- and one Cl1- atom. There are a spread of Sr–O bond distances ranging from 2.55–3.03 Å. The Sr–Cl bond length is 3.03 Å. Ru+4.83+ is bonded to six O2- atoms to form a mixture of edge and corner-sharing RuO6 octahedra. The corner-sharing octahedral tilt angles are 56°. There are a spread of Ru–O bond distances ranging from 1.93–2.00 Å. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a water-like geometry to two equivalent Sr2+ and two equivalent Ru+4.83+ atoms. In the second O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Ru+4.83+ atoms. Cl1- is bonded in a tetrahedral geometry to four equivalent Sr2+ atoms.