Materials Data on RbSrCl3 by Materials Project

Abstract

RbSrCl3 crystallizes in the tetragonal P4/mbm space group. The structure is three-dimensional. there are two inequivalent Rb1+ sites. In the first Rb1+ site, Rb1+ is bonded in a distorted body-centered cubic geometry to eight Cl1- atoms. There are four shorter (3.46 Å) and four longer (3.91 Å) Rb–Cl bond lengths. In the second Rb1+ site, Rb1+ is bonded in a distorted body-centered cubic geometry to eight Cl1- atoms. There are four shorter (3.46 Å) and four longer (3.91 Å) Rb–Cl bond lengths. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded to six Cl1- atoms to form corner-sharing SrCl6 octahedra. The corner-sharing octahedra tilt angles range from 0–34°. There are two shorter (2.88 Å) and four longer (2.89 Å) Sr–Cl bond lengths. In the second Sr2+ site, Sr2+ is bonded to six Cl1- atoms to form corner-sharing SrCl6 octahedra. The corner-sharing octahedra tilt angles range from 0–34°. There are two shorter (2.88 Å) and four longer (2.89 Å) Sr–Cl bond lengths. There are two inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded in a distorted linear geometry to four Rb1+ and two equivalent Sr2+ atoms. In the second Cl1- site, Cl1- is bonded to two equivalent Rb1+ and two Sr2+ atoms to form a mixture of distorted edge and corner-sharing ClRb2Sr2 tetrahedra.