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Keywords:

  • Structure elucidation;
  • Calcium;
  • Phosphate;
  • Catena structures;
  • Vibrational spectroscopy

Abstract

The catena–hexaphosphate Ca4P6O19 (Trömelite) was obtained by the reaction of calcium oxide with H3PO3 in a tube furnace at a temperature of 900 °C and crystallizes triclinic (space group equation image, Z = 2, a = 685.70(9) pm, b = 915.47(12) pm, c = 1282.25(17) pm, α = 109.602(10)°, β = 99.778(10)°, γ = 91.917(10)°, V = 743.70(17)·106 pm3). According to the powder diffraction data of Ca4P6O19 a Rietveld refinement of the lattice constants was performed; this confirmed the single–crystal data. Trömelite contains chains of six condensed corner-sharing PO4 tetrahedra with the Ca atoms in the voids of the resulting structure. IR and Raman data of Trömelite are also presented.