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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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