X-ray crystal structure analysis and the Ru valence of Ba4Ru3O10 single crystals

Abstract

We present the single-crystalline x-ray diffraction study on the Ba4Ru3O10 consisting of the corner-shared Ru3O12 trimers. The crystal structure is re-determined from 78 to 300 K across an antiferromagnetic transition at 105 K. The orthorhombic symmetry (Cmca, space group No. 64) is preserved at all temperatures measured. This structure presents exceptionally long Ru-O distances characterized by a significant distribution within the Ru3O12 trimer. A bond valence sum calculation suggests that the charge disproportionation within the Ru3O12 trimer emerges even at room temperature, which we ascribe to molecular orbital formation in the Ru3O12 trimer, as supported by recent theoretical calculations. Based on the analyzed crystal structure, the electronic states and the nature of the phase transition at 105 K are discussed.

7pages, 6 figures

References in corpus (4)

• Continuous metal-insulator transition of the antiferromagnetic perovskite NaOsO3
• Unconventional magnetism as a consequence of the charge disproportionation and the molecular orbital formation in Ba4Ru3O10
• Antiferromagnetic order and consequences on the transport properties of Ba${}_4$Ru${}_3$O${}_{10}$
• Spin-gap opening accompanied by a strong magnetoelastic response in the S=1 magnetic dimer system Ba3BiRu2O9

Cited by in corpus (3)

• Emergence of spinons in layered trimer iridate Ba4Ir3O10
• Spectroscopic signature of trimer Mott insulator and charge disproportionation in BaIrO${}_3$
• Complex magnetic structure in Ba5Ru3O12 with isolated Ru3O12-trimer