Crystal structure of BaV13O18

Kouta Iwasaki, Hirotsugu Takizawa, Kyota Uheda, Tadashi Endo, Masahiko Shimada

Research output: Contribution to journalArticle

12 Citations (Scopus)

Abstract

Single crystals of BaV13O18 (V+2.62) containing a small amount of Cr (about 7% of vanadium sites) were prepared by heating a mixture of BaCO3, V2O5, V, and Cr powders at 1973 K for 40 h in flowing Ar. Crystal structure analysis using single-crystal data (Rigaku AFC7R, 4037 reflections) showed that the BaV13O18 has a rhombohedral unit cell with ah=12.621(5) Å, Ch=7.020(5) Å, V=968.4(9) Å3, Z=3, Dcal=5.595 g·cm-3, and space group R-3 (R1=1.96%, wR2=3.60%, S=1.095). In the structure, Ba and O formed a cubic close-packed arrangement and every V was coordinated by six O. BaV13O18 has three kinds of vanadium environments: one almost regular octahedral site and two distorted octahedral sites. VO6 octahedra share their corners and edges.

Original languageEnglish
Pages (from-to)61-67
Number of pages7
JournalJournal of Solid State Chemistry
Volume158
Issue number1
DOIs
Publication statusPublished - 2001 Jan 1

Keywords

  • Barium vanadate
  • Crystal structure analysis
  • Low-valence vanadium ion
  • Magnetic property
  • Single-crystal X-ray study
  • V-V (cation-cation) bond

ASJC Scopus subject areas

  • Electronic, Optical and Magnetic Materials
  • Ceramics and Composites
  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Inorganic Chemistry
  • Materials Chemistry

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