Comprehensive structural study of glassy and metastable crystalline BaTi2O5

Jianding Yu, Shinji Kohara, Keiji Itoh, Shunsuke Nozawa, Satoru Miyoshi, Yasutomo Arai, Atsunobu Masuno, Hiraki Taniguchi, Mitsuru Itoh, Masaki Takata, Toshiharu Fukunaga, Shin Ya Koshihara, Yoshihiro Kuroiwa, Shinichi Yoda

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Abstract

The structures of glassy and metastable crystalline BaTi2O5 fabricated by the containerless method were comprehensively investigated by combined X-ray and neutron diffractions, XANES analyses, and computer simulations. The three-dimensional atomic structure of glassy BaTi 2O5 (g-BaTi2O5), simulated by Reverse Monte Carlo (RMC) modeling on diffraction data, shows that extremely distorted TiO5polyhedra interconnected with both corner- and edge-shared oxygen formed a higher packing density structure than that of conventional silicate glass linked with only corner-sharing of SiO4 polyhedra. In addition, XANES measurement revealed that five-coordinated TiO5 polyhedra were formable in the crystallized metastable α- and β-BaTi2O5 phases. The structure of metastable β-BaTi2O5 was solved by ab initio calculation, and refined by Rietveld refinement as group Pnma with unit lattices a = 10.23784(4) A, b = 3.92715(1) A, c = 10.92757(4) A. Our results show that the glass-forming ability enhanced by containerless processing, not by "strong glass former", fabricated new bulk oxide glasses with novel structures and properties.

Original languageEnglish
Pages (from-to)259-263
Number of pages5
JournalChemistry of Materials
Volume21
Issue number2
DOIs
Publication statusPublished - Jan 27 2009
Externally publishedYes

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ASJC Scopus subject areas

  • Chemistry(all)
  • Chemical Engineering(all)
  • Materials Chemistry

Cite this

Yu, J., Kohara, S., Itoh, K., Nozawa, S., Miyoshi, S., Arai, Y., Masuno, A., Taniguchi, H., Itoh, M., Takata, M., Fukunaga, T., Koshihara, S. Y., Kuroiwa, Y., & Yoda, S. (2009). Comprehensive structural study of glassy and metastable crystalline BaTi2O5. Chemistry of Materials, 21(2), 259-263. https://doi.org/10.1021/cm802483w