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Crystal structure of decacalcium tetrapotassium hexakis (pyrophosphate) nonahydrate

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The crystal structure of Ca10K4(P2O7)6·9H2O has been determined by single crystal X-ray diffraction. Crystals are hexagonal, space group P63cm witha=11.761(1),c=9.770(1) Å, andZ=1. The structure was refined toR=0.028 andR w=0.037 for 468 reflections withI≥3σ(I). The structure consists of a compact assembly of Ca and P2O7 ions arranged in layers perpendicular to thec-axis in a hexagonal array with relatively large open channels along thec-axis. The K ions and the water molecules are located in these open channels and are disordered.

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Correspondence to M. Mathew.

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Certain commercial materials and equipments are identified in this paper to specify the experimental procedure. In no instance does such identification imply recommendation or endorsement by the National Institute of Standards and Technology or the ADA Health Foundation or that the material or equipment identified is necessarily the best available for the purpose.

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Mathew, M., Ammon, H.L. Crystal structure of decacalcium tetrapotassium hexakis (pyrophosphate) nonahydrate. J Chem Crystallogr 25, 219–222 (1995). https://doi.org/10.1007/BF01665172

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Key Words

  • Calcium phosphate
  • calcium pyrophosphate
  • calcium potassium pyrophosphate
  • crystal structure
  • layer-type structure