Redetermination of Sr₂PdO₃ from single-crystal X-ray data

Area of Science:

• Solid-state chemistry
• Crystallography
• Materials science

Background:

• Previous studies of Sr2PdO3 relied on powder X-ray diffraction data.
• Existing structural descriptions may lack precision.

Purpose of the Study:

• To redetermine the crystal structure of Sr2PdO3 using high-quality single-crystal X-ray data.
• To obtain more precise structural parameters compared to previous powder diffraction studies.

Main Methods:

• Single-crystal X-ray diffraction data collection.
• Structure refinement including anisotropic displacement parameters.

Main Results:

• Precise cell parameters and fractional coordinates for Sr2PdO3 were obtained.
• Anisotropic displacement parameters were determined for all atomic sites.
• The ortho-rhom-bic Sr2CuO3 structure type (space group Immm) was confirmed.

Conclusions:

• The refined structure of Sr2PdO3 consists of infinite corner-sharing PdO4 plaquette chains interspersed by Sr atoms.
• This single-crystal study provides a more accurate structural model than previous powder diffraction analyses.
• A comparison with the K2NiF4 structure type is provided.