Materials Data on Sr2CdWO6 by Materials Project

Abstract

Sr2CdWO6 crystallizes in the tetragonal I4/m space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are four shorter (2.60 Å) and four longer (2.91 Å) Sr–O bond lengths. W6+ is bonded to six O2- atoms to form WO6 octahedra that share corners with six equivalent CdO6 octahedra. The corner-sharing octahedra tilt angles range from 0–30°. All W–O bond lengths are 1.95 Å. Cd2+ is bonded to six O2- atoms to form CdO6 octahedra that share corners with six equivalent WO6 octahedra. The corner-sharing octahedra tilt angles range from 0–30°. There are two shorter (2.26 Å) and four longer (2.30 Å) Cd–O bond lengths. There are two inequivalent O2- sites. In the first O2- site, O2- is bonded to two equivalent Sr2+, one W6+, and one Cd2+ atom to form distorted OSr2CdW tetrahedra that share corners with four equivalent OSr4CdW octahedra, corners with ten equivalent OSr2CdW tetrahedra, edges with four equivalent OSr4CdW octahedra, and an edgeedge with one OSr2CdW tetrahedra. The corner-sharing octahedra tilt angles range from 65–66°. In the second O2- site, O2- is bonded to four equivalent Sr2+, one W6+, and one Cd2+ atom to form distorted OSr4CdW octahedra that share corners with six equivalent OSr4CdW octahedra, corners with eight equivalent OSr2CdW tetrahedra, edges with four equivalent OSr4CdW octahedra, and edges with eight equivalent OSr2CdW tetrahedra. The corner-sharing octahedra tilt angles range from 0–6°.