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Ba3Y2B6O15, a novel cubic borate.

Sangen Zhao1, Jiyong Yao, Guochun Zhang

  • 1Key Laboratory of Functional Crystals and Laser Technology, Technical Institute of Physics and Chemistry, Chinese Academy of Sciences, Beijing 100190, People's Republic of China.

Acta Crystallographica. Section C, Crystal Structure Communications
|July 6, 2011
PubMed
Summary

Single crystals of tribarium diyttrium hexaborate were synthesized using a flux method. The crystal structure features a 3D framework of barium and yttrium polyhedra, reinforced by borate groups.

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Area of Science:

  • Inorganic Chemistry
  • Crystallography
  • Materials Science

Background:

  • Understanding the synthesis and structural properties of novel inorganic compounds is crucial for materials development.
  • Borate compounds, particularly those containing rare-earth elements, exhibit diverse structural motifs and potential applications.

Purpose of the Study:

  • To synthesize single crystals of tribarium diyttrium hexaborate.
  • To determine the crystal structure and atomic arrangement of the synthesized compound.
  • To elucidate the bonding and structural framework.

Main Methods:

  • Spontaneous crystallization from a high-temperature melt.
  • Utilized lithium oxide-barium oxide-boron oxide (Li(2)O-BaO-B(2)O(3)) as a flux.
  • Single crystal X-ray diffraction analysis.

Main Results:

  • Successfully obtained single crystals of tribarium diyttrium hexaborate.
  • The compound crystallizes in the cubic system.
  • The structure consists of isolated [B(2)O(5)](4-) groups, irregular BaO(9) polyhedra, and regular YO(6) polyhedra arranged along the [111] direction.
  • A 3D framework is formed by BaO(9) and YO(6) polyhedra, stabilized by the borate groups.

Conclusions:

  • The flux method is effective for synthesizing tribarium diyttrium hexaborate single crystals.
  • The determined crystal structure provides insight into the coordination chemistry of barium and yttrium in borate matrices.
  • The interplay between polyhedra and borate groups dictates the overall framework stability.