Materials Data on SrSnO3 by Materials Project

Abstract

SrSnO3 crystallizes in the tetragonal I4/mcm space group. The structure is three-dimensional. Sr2+ is bonded in a 12-coordinate geometry to eight O2- atoms. There are four shorter (2.61 Å) and four longer (2.87 Å) Sr–O bond lengths. Sn4+ is bonded to six O2- atoms to form corner-sharing SnO6 octahedra. The corner-sharing octahedra tilt angles range from 0–25°. There are four shorter (2.08 Å) and two longer (2.09 Å) Sn–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded in a 4-coordinate geometry to two equivalent Sr2+ and two equivalent Sn4+ atoms. In the second O2- site, O2- is bonded to four equivalent Sr2+ and two equivalent Sn4+ atoms to form a mixture of distorted edge and corner-sharing OSr4Sn2 octahedra. The corner-sharing octahedral tilt angles are 0°.