Crystal Structure of Ba3ZrRu2O9 – a New 6H‐(cch)2 Perovskite

Single crystals of the new 6H‐perovskite Ba₃ZrRu₂O₉ have been grown from BaCO₃ and RuO₂ in presence of BaCl₂ on ZrO₂ bars. Ba₃ZrRu₂O₉ crystallizes in the space group P6₃/mmc (No. 194) with a = 5.7827(2) Å and c = 14.2509(5) Å (Z = 2, R1 = 0.037, wR2 = 0.078). The structure consists of pairs of face‐shared RuO₆ octahedra forming [Ru₂O₉] units, which are interconnected by corner‐sharing ZrO₆ octahedra. The structural relationships of the title compound and of the already known barium‐zirconium‐ruthenate Ba₄ZrRu₃O₁₂, 4H‐ and 9R‐BaRuO₃ and BaZrO₃ are discussed.