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Structural Characterization of Yttrium-Substituted Lead Phosphate Apatite Synthesized at 825°C: A Systematic XRD Investigation

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Abstract:

The Pb₁₀₋ₓYₓ(PO₄)₆(OH)₂ compounds were synthesized by solid-state reaction at 825 °C across a broad composition range (0 ≤ x ≤ 2.0) to examine the extent of yttrium substitution in the lead hydroxyapatite structure. Through high-resolution X-ray diffraction (XRD), the compositions are shown to crystallize in a hexagonal apatite structure (space group P63/m) up to x ≈ 1.0 with single-phase purity. The Pb2+ ions are found to be promptly substituted by Y3+ ions resulting in a linear contraction of the lattice parameters a and c in accordance to Vegard’s law, suggesting the involvement of yttrium ions into the apatite lattice. At high substitution levels (x ≥ 1.2), the appearance and increase of typical YPO₄ reflections, mainly the (120) peak indicates the beginning of the secondary phase development caused by the solubility limit of Y³ in the structure. Lattice parameters, atomic positions, high-quality fit (Rwp = 8.45%, χ² = 1.24) during Rietveld refinement of representative samples indicates a high order crystal structure. The main phosphate vibrational modes are retained according to Fourier-transform infrared spectroscopy with small spectral shifts and band broadening suggesting Y³⁺ incorporation causes lattice distortions. SEM analyses indicates that the microstructure is made up of relatively even, solid, polyhedral, highly crystalline grains. The evidences show the definite correlation of yttrium substitution with the structure evolution and phase stability of lead phosphate apatite, and as a result, guidance on how to rationally design ceramic components of advanced functional ceramics for environmental and other technical applications.

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Periodical:

Key Engineering Materials (Volume 1061)

Pages:

127-139

DOI:

https://doi.org/10.4028/p-czO34T

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Online since:

August 2026

Authors:

Mohammed A.B. Abdul Jabar*, Ruaa A. Mohammed

Keywords:

Lead Phosphate, Rietveld Refinement, Solid-State Synthesis, Structural Characterization, X-Ray Diffraction, Yttrium-Substituted Apatite

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© 2026 Trans Tech Publications Ltd. All Rights Reserved

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