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Structure refinement with X‐ray powder diffraction data for synthetic calcium hydroxyapatite by Rietveld method
Author(s) -
Pritzkow W.,
Rentsch H.
Publication year - 1985
Publication title -
crystal research and technology
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.377
H-Index - 64
eISSN - 1521-4079
pISSN - 0232-1300
DOI - 10.1002/crat.2170200719
Subject(s) - rietveld refinement , hexagonal crystal system , powder diffraction , x ray , crystallography , x ray crystallography , diffraction , materials science , chemistry , mineralogy , crystal structure , physics , optics
Ca 5 (PO 4 ) 3 OH, M r = 502.3, hexagonal, P 6 3 /m, a = 9.4207(3), c = 6.8780(2) Å, V = 528.67 Å 3 , Z = 2, D x = 3.156 Mg · m −3 , CuKα, λKα 1 = 1.54051, λKα 2 = 1.54433 Å, μ = 26.25 mm −1 , F(000) = 500, T = 294 K. The powder diffraction pattern was analysed by the Rietveld method. The parameters were refined by the program PFSR (DBW2.9) to final R ‐factors R p = 0.079, R wp = 0.081 and R B = 0.015.