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

Abstract

Single crystals of the new 6H-perovskite Ba 3 ZrRu 2 O 9 have been grown from BaCO 3 and RuO 2 in presence of BaCl 2 on ZrO 2 bars. Ba 3 ZrRu 2 O 9 crystallizes in the space group P6 3 /mmc (No. 194) with a ϭ 5.7827(2) Å and c ϭ 14.2509(5) Å (Z ϭ 2, R1 ϭ 0.037, wR2 ϭ 0.078). The structure consists of pairs of face-shared RuO 6 octahedra forming [Ru 2 O 9 ] units, which are interconnected by corner-sharing ZrO 6 octahedra. The structural relationships of the title compound and of the already known barium-zirconiumruthenate Ba 4 ZrRu 3 O 12 , 4H-and 9R-BaRuO 3 and BaZrO 3 are discussed.

Crystal Structures of Ternary Ruthenium Ferrites SrM2±xRu4∓xO11 with M = Fe, Co and Magnetic and Transport Properties of Al‐doped Single Crystals

“…Ruthenium shows a clear preference for the occupation of face‐sharing octahedra, as opposed to edge‐ and corner‐sharing octahedra, in ordered quaternary hexagonal perovskites 12. Nevertheless, the M (1) position in the face‐sharing octahedra exhibits a higher iron occupation than the M (2) site for all studied compositions.…”

Experimental observation and computational study of the spin-gap excitation in Ba3BiRu2O9

“…In this context it is important to note that a magnetoelastic transition is not observed in analogous 6H-type perovskites in which Bi is replaced by other 4+ valent cations (Ba [11]). This may be related to the fact that the apparent "4+" oxidation state of bismuth is highly unusual: Bi 4+ usually disproportionates locally into Bi 3+ and Bi 5+ due to its energetically unfavourable configuration 4f 14 5d 10 6s 1 , as in, e.g., BaBiO 3 [12][13][14][15][16][17].…”

Spin-gap opening accompanied by a strong magnetoelastic response in theS=1magnetic dimer system Ba3BiRu2Miiller1, Avdeev2, Zhou3 et al. 2011Phys. Rev. B313280View full textAdd to dashboardCite

“…1). It forms part of the Ba 3 RRu 2 O 9 series, where R is a rare-earth or 3d transition metal [6,7], indium [8] or zirconium [9]. The ing GSAS [11] with the EXPGUI front-end [12].…”

“…1). It forms part of the Ba 3 RRu 2 O 9 series, where R is a rare-earth or 3d transition metal [6,7], indium [8] or zirconium [9]. The rare-earth R cations usually have a 3+ oxidation state, giving Ru 9+ 2 dimers; but Tb, Pr, and Ce have 4+ oxidation states, giving Ru 8+ 2 dimers, and shrinking the unit cell due to the reduced ionic radius of R [10] (Fig.…”