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Crystal structure of octacalcium bis(hydrogenphosphate) tetrakis(phosphate)pentahydrate, Ca8(HP04)2(PO4)4·5H2O

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Abstract

The crystal structure of octacalcium bis(hydrogenphosphate) tetrakis(phosphate)pentahydrate, Ca8(HPO4)2(PO4)4·5H2O, has been refined toR=0.051 for 4502 reflections. The crystals are triclinic:P¯1,a=19.692(4),b=9.523(2),c=6.835(2) Å,α=90.15(2),β=92.54(2), and γ=108.65(1)°,Z=2. The structure can be considered to consist of two layers parallel to (100), an apatitic layer which corresponds very closely to that of hydroxyapatite and a hydrated layer which contains all the water molecules. Several atoms in the hydrated layer are probably disordered. Possibilities for the hydrogen-bonding arrangement are discussed.

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Author notes

  1. L. W. Schroeder

    Present address: Division of Biological Effects, Bureau of Radiological Health, Food and Drug Administration, 20857, Rockville, Maryland

Authors and Affiliations

  1. Paffenbarger Research Center American Dental Association Health Foundation, National Bureau of Standards, 20899, Gaithersburg, Maryland

    M. Mathew, W. E. Brown & L. W. Schroeder

  2. Institute for Materials Science and Engineering, National Bureau of Standards, 20899, Gaithersburg, Maryland

    B. Dickens

Authors
  1. M. Mathew
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  2. W. E. Brown
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  3. L. W. Schroeder
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  4. B. Dickens
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Mathew, M., Brown, W.E., Schroeder, L.W. et al. Crystal structure of octacalcium bis(hydrogenphosphate) tetrakis(phosphate)pentahydrate, Ca8(HP04)2(PO4)4·5H2O. Journal of Crystallographic and Spectroscopic Research 18, 235–250 (1988). https://doi.org/10.1007/BF01194315

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  • DOI: https://doi.org/10.1007/BF01194315

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