DOI

The crystal structure of β-CsB5O8 has been determined from X-ray powder diffraction data using synchrotron radiation: Pbca, a=7.8131(3) Å, b=12.0652(4) Å, c=14.9582(4) Å, Z=8, ρcalc = 2.967 g/cm3, R-p=0.076, R-wp=0.094. β-CsB5O8 was found to be isostructural with β-KB5O8 and P-RbB5O8. The crystal structure consists of a double interlocking framework built up from B-O pentaborate groups. The crystal structure exhibits a highly anisotropic thermal expansion: αa=53, αb=16, αc= 14.10-6/K; the anisotropy may be caused by partial straightening of the screw chains of the pentaborate groups. The similarity of the thermal and compositional (Cs-Rb-K substitution) deformations CsB5O8 is revealed: increasing the radius of the metal by 0.01 Å leads to the same deformations of the crystal structure as increasing the temperature by 35°C.

Original languageEnglish
Pages (from-to)143-150
Number of pages8
JournalCrystal Research and Technology
Volume42
Issue number2
DOIs
StatePublished - 1 Feb 2007

    Research areas

  • Cesium pentaborate, Compositional deformation, Crystal structure, Rietveld refinement, Thermal expansion

    Scopus subject areas

  • Chemistry(all)
  • Materials Science(all)
  • Condensed Matter Physics

ID: 53950861