Structural properties of mixed conductor Ba1−xGd1−yLax+yCo2O6−δ

• Published in: Dalton transactions : an international journal of inorganic chemistry Vol. 51; no. 48; pp. 18667 - 18677
• Main Authors: Strandbakke, Ragnar, Wragg, David S, Sørby, Magnus H, Guzik, Matylda N, Gunnæs, Anette E, Iga Szpunar, Sebastian Lech Wachowski, Balaguer, María, Carvalho, Patricia A, Mielewczyk-Gryń, Aleksandra, Serra, Jose M, Norby, Truls
• Format: Journal Article
• Language: English
• Published: Cambridge Royal Society of Chemistry 13.12.2022
• Subjects: Conductors; Gadolinium; Lanthanum; Materials substitution; Perovskite structure; Perovskites; Phase composition; Thermal expansion
• ISSN: 1477-9226; 1477-9234
• DOI: 10.1039/d2dt02277j

Ba1−xGd1−yLax+yCo2O6−δ (BGLC) compositions with large compositional ranges of Ba, Gd, and La have been characterised with respect to phase compositions, structure, and thermal and chemical expansion. The results show a system with large compositional flexibility, enabling tuning of functional properties and thermal and chemical expansion. We show anisotropic chemical expansion and detailed refinements of emerging phases as La is substituted for Ba and Gd. The dominating phase is the double perovskite structure Pmmm, which is A-site ordered along the c-axes and with O vacancy ordering along the b-axis in the Ln-layer. Phases emerging when substituting La for Ba are orthorhombic Ba-deficient Pbnm and cubic LaCoO3-based R3c. When La is almost completely substituted for Gd, the material can be stabilised in Pmmm, or cubic Pm3m, depending on thermal and atmospheric history. We list thermal expansion coefficients for x = 0–0.3, y = 0.2.