Materials Data on RbSr2Cl5 by Materials Project

Abstract

RbSr2Cl5 crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Rb1+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Rb–Cl bond distances ranging from 3.22–3.70 Å. There are two inequivalent Sr2+ sites. In the first Sr2+ site, Sr2+ is bonded in a 8-coordinate geometry to eight Cl1- atoms. There are a spread of Sr–Cl bond distances ranging from 3.02–3.15 Å. In the second Sr2+ site, Sr2+ is bonded to seven Cl1- atoms to form distorted edge-sharing SrCl7 pentagonal bipyramids. There are a spread of Sr–Cl bond distances ranging from 2.90–3.10 Å. There are five inequivalent Cl1- sites. In the first Cl1- site, Cl1- is bonded to two equivalent Rb1+ and two equivalent Sr2+ atoms to form distorted ClRb2Sr2 tetrahedra that share corners with four equivalent ClRb2Sr3 square pyramids, corners with six ClRb2Sr2 tetrahedra, corners with two equivalent ClRb2Sr3 trigonal bipyramids, an edgeedge with one ClRb2Sr3 square pyramid, an edgeedge with one ClRb2Sr2 tetrahedra, and edges with two equivalent ClRb2Sr3 trigonal bipyramids. In the second Cl1- site, Cl1- is bonded in a 5-coordinate geometry to two equivalent Rb1+ and three Sr2+ atoms. In the third Cl1- site, Cl1- is bonded to two equivalent Rb1+ and three Sr2+ atoms to form distorted ClRb2Sr3 trigonal bipyramids that share corners with four equivalent ClRb2Sr3 square pyramids, corners with four ClRb2Sr2 tetrahedra, corners with four equivalent ClRb2Sr3 trigonal bipyramids, an edgeedge with one ClRb2Sr3 square pyramid, edges with four ClSr4 tetrahedra, and a faceface with one ClRb2Sr3 square pyramid. In the fourth Cl1- site, Cl1- is bonded to two equivalent Rb1+ and three Sr2+ atoms to form distorted ClRb2Sr3 square pyramids that share corners with eight ClRb2Sr2 tetrahedra, corners with four equivalent ClRb2Sr3 trigonal bipyramids, edges with two equivalent ClRb2Sr3 square pyramids, edges with two ClRb2Sr2 tetrahedra, an edgeedge with one ClRb2Sr3 trigonal bipyramid, and a faceface with one ClRb2Sr3 trigonal bipyramid. In the fifth Cl1- site, Cl1- is bonded to four Sr2+ atoms to form distorted ClSr4 tetrahedra that share corners with four equivalent ClRb2Sr3 square pyramids, corners with six ClRb2Sr2 tetrahedra, corners with two equivalent ClRb2Sr3 trigonal bipyramids, an edgeedge with one ClRb2Sr3 square pyramid, an edgeedge with one ClSr4 tetrahedra, and edges with two equivalent ClRb2Sr3 trigonal bipyramids.