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All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Materials Data on Sr2CdWO6 by Materials Project

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°.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2CdWO6 by Materials Project

Sr2CdWO6 crystallizes in the orthorhombic Pmmn space group. The structure is three-dimensional. Sr2+ is bonded in a 9-coordinate geometry to nine O2- atoms. There are a spread of Sr–O bond distances ranging from 2.61–2.92 Å. 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 1–12°. There are a spread of W–O bond distances ranging from 1.92–1.97 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 1–12°. There are a spread of Cd–O bond distances ranging from 2.24–2.28 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one W6+, and one Cd2+ atom. In the second O2- site, O2- is bonded to four equivalent Sr2+, one W6+, and one Cd2+ atom to form a mixture of distorted edge, face, and corner-sharing OSr4CdW octahedra. The corner-sharing octahedral tilt angles are 53°. In the third O2- site, O2- is bonded in a 2-coordinate geometry to two equivalent Sr2+, one W6+, and one Cd2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2CdWO6 by Materials Project

Sr2CdWO6 is (Cubic) Perovskite-derived structured and crystallizes in the cubic Fm-3m space group. The structure is three-dimensional. Sr2+ is bonded to twelve equivalent O2- atoms to form SrO12 cuboctahedra that share corners with twelve equivalent SrO12 cuboctahedra, faces with six equivalent SrO12 cuboctahedra, faces with four equivalent WO6 octahedra, and faces with four equivalent CdO6 octahedra. All Sr–O bond lengths are 2.96 Å. W6+ is bonded to six equivalent O2- atoms to form WO6 octahedra that share corners with six equivalent CdO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All W–O bond lengths are 1.94 Å. Cd2+ is bonded to six equivalent O2- atoms to form CdO6 octahedra that share corners with six equivalent WO6 octahedra and faces with eight equivalent SrO12 cuboctahedra. The corner-sharing octahedral tilt angles are 0°. All Cd–O bond lengths are 2.24 Å. O2- is bonded in a distorted linear geometry to four equivalent Sr2+, one W6+, and one Cd2+ atom.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Materials Data on Sr2CdWO6 by Materials Project

Sr2CdWO6 is Orthorhombic Perovskite-derived structured and crystallizes in the monoclinic P2_1/c space group. The structure is three-dimensional. Sr2+ is bonded in a 8-coordinate geometry to eight O2- atoms. There are a spread of Sr–O bond distances ranging from 2.50–2.95 Å. 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 27–31°. All W–O bond lengths are 1.96 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 27–31°. There are a spread of Cd–O bond distances ranging from 2.31–2.35 Å. There are three inequivalent O2- sites. In the first O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one W6+, and one Cd2+ atom. In the second O2- site, O2- is bonded in a 5-coordinate geometry to three equivalent Sr2+, one W6+, and one Cd2+ atom. In the third O2- site, O2- is bonded to two equivalent Sr2+, one W6+, and one Cd2+ atom to form distorted corner-sharing OSr2CdW tetrahedra.

36 MATERIALS SCIENCE↗