Crystal Structure of 4H BaRuO3: High Pressure Phase Prepared at Ambient Pressure

Seung Tae Hong, Arthur W. Sleight

Research output: Contribution to journalArticlepeer-review

81 Scopus citations

Abstract

Single crystals of BaRuO3were grown using a BaCl2flux at ambient pressure. Most of the crystals had the nine-layer rhombohedral structure (9R) which is considered to be the stable form of BaRuO3at ambient pressure. However, some BaRuO3crystals in this preparation had the four-layer hexagonal (4H) structure which had been considered as a phase produced only at high pressure (15-30 kbar). The crystal structure of 4H BaRuO3was refined for the first time. Single crystal X-ray diffraction data gave a space group ofP63/mmc(No. 194),a=5.729(1) Å,c=9.500(1) Å,Z=4, a final conventionalR(based onF0) of 2.01%, and awR2 (based onF20) of 4.07%. The structure of 4H BaRuO3may be described as perovskite-related with a four-layer stacking of BaO3layers in the sequencehchc. This leads to pairs of face-sharing RuO6octahedra which are connected to other octahedra by corner sharing. The Ru-Ru distance in the Ru2O9dimer of 4H BaRuO3is 2.537(1) Å which indicates the presence of a metal-metal bond.

Original languageEnglish
Pages (from-to)251-255
Number of pages5
JournalJournal of Solid State Chemistry
Volume128
Issue number2
DOIs
StatePublished - 1 Feb 1997

Bibliographical note

Funding Information:
This work was supported by NSF Grant DMR-9308530.

Fingerprint

Dive into the research topics of 'Crystal Structure of 4H BaRuO3: High Pressure Phase Prepared at Ambient Pressure'. Together they form a unique fingerprint.

Cite this