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Related Experiment Videos

Triclinic apatites.

Tom Baikie1, Patrick H J Mercier, Margaret M Elcombe

  • 1School of Materials Science and Engineering, Nanyang Technological University, Block N4.1, Nanyang Avenue, Singapore. tbaikie@ntu.edu.sg

Acta Crystallographica. Section B, Structural Science
|March 22, 2007
PubMed
Summary
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Apatites can adopt lower symmetry structures due to tetrahedral tilting, relieving stress and influencing crystal chemistry. This contrasts with anion displacements in other apatite forms, aiding material design.

Area of Science:

  • Crystallography
  • Materials Science
  • Solid-State Chemistry

Background:

  • Apatites typically exhibit hexagonal symmetry (P6(3)/m).
  • Lower symmetry analogues, like hydroxyapatite, are known but the reasons for reduced symmetry are unclear.
  • Understanding symmetry reduction is key for designing apatites with tailored properties.

Purpose of the Study:

  • To investigate the driving forces behind symmetry reduction in apatites.
  • To examine the role of tetrahedral distortions in lower symmetry apatites.
  • To provide insights for designing apatites with specific structural and crystal-chemical characteristics.

Main Methods:

  • Diffraction observations and ab initio calculations were employed.
  • Structural analysis of various apatite compositions, including Ca(10)(AsO(4))(6)F(2), Ca(10)(VO(4))(6)F(2), and non-stoichiometric variants.

Related Experiment Videos

  • Comparison with monoclinic dimorphs of chloroapatite and hydroxyapatite.

    • Main Results:

    • Triclinic P\bar 1 apatites (e.g., Ca(10)(AsO(4))(6)F(2)) exhibit tilted AsO(4) and VO(4) tetrahedra to relieve site stress.
    • Tetrahedral rotations were confirmed in triclinic non-stoichiometric apatites.
    • Cd(10)(PO(4))(6)F(2) and Ca(10)(CrO(4))(6)F(2) are predicted to be isostructural with the triclinic phase.

    Conclusions:

    • Tetrahedral tilting is a primary mechanism for symmetry reduction in certain apatites, driven by the need for favorable bond-valence sums.
    • This contrasts with anion displacement-driven symmetry reduction in monoclinic apatites.
    • The findings are crucial for the rational design of apatite materials with specific functionalities.