Anti-KSbF6 structure of CaTbF6 and CdTbF6: a confirmation of the singular crystal chemistry of Tb4+ in fluorides

Acta Crystallogr B. 2005 Feb;61(Pt 1):1-10. doi: 10.1107/S0108768104026928. Epub 2005 Jan 19.

Abstract

The crystal structures of two new tetravalent terbium fluorides, CaTbF6 and CdTbF6, have been determined from X-ray and neutron powder diffraction data. The title compounds exhibit an anti-KSbF6 structure, the three-dimensional framework of which is built of [TbF6]2- chains of edge-sharing dodecahedra further linked, by sharing corners, to isolated [MF6]4- octahedra (M=Ca, Cd). The mechanism of the anionic sublattice rearrangement when going from KSbF6 to CaTbF6 is described and related to a simple cubic fluoride-ion packing. Comparison with the crystal structures of beta-BaTbF6 and other representatives of the M(II)M('IV)F6 family allows the singular crystal-chemical properties of some fluoroterbates to be emphasized.

Publication types

  • Research Support, Non-U.S. Gov't

MeSH terms

  • Cadmium / chemistry*
  • Calcium / chemistry*
  • Crystallization
  • Crystallography, X-Ray
  • Fluorides / chemistry*
  • Models, Molecular
  • Molecular Structure
  • Neutron Diffraction
  • Potassium / chemistry*
  • Terbium / chemistry*

Substances

  • Cadmium
  • Terbium
  • Fluorides
  • Potassium
  • Calcium