Crystal structure refinement of A-type carbonate apatite by X-ray powder diffraction

Toru Tonegawa, Toshiyuki Ikoma, Tomohiko Yoshioka, Nobutaka Hanagata, Junzo Tanaka

Research output: Contribution to journalArticle

31 Citations (Scopus)

Abstract

Complete carbonate substitution at A-sites (OH) of low-crystallinity hydroxyapatite with near stoichiometric composition (i.e. Ca/P ratio of 1.65) was achieved by heating in a dry carbon dioxide flow at 1173 K for 64 h. The carbonate content was analysed by thermogravimetry and infrared absorption spectrometry; the chemical composition was determined to be Ca 9.9±0.1(PO4)6.00±0.1(CO 3)0.9±0.1. The crystal structure and atomic configuration of the carbonate ion were determined by Rietveld refinement using X-ray powder diffraction data. This analysis revealed that the space group was monoclinic Pb with a = 0.9571(1), b = 1.9085(2), c = 0.68755(3) nm and γ = 119.847(7)°. The triangular planes of the carbonate ions were oriented parallel to the c- and a-axes, though there were two independent carbonate sites with occupancy factors of 0.56(1) and 0.34(1), where the triangles were oppositely rotated about the corresponding carbon atoms by 23° and -18°, respectively. The arrangement of the ions was disordered, which explains the lack of a thermal phase transition below 623 K.

Original languageEnglish
Pages (from-to)2419-2426
Number of pages8
JournalJournal of Materials Science
Volume45
Issue number9
DOIs
Publication statusPublished - May 2010
Externally publishedYes

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Carbonates
Apatite
X ray powder diffraction
Crystal structure
Ions
Rietveld refinement
Infrared absorption
Durapatite
Carbon Monoxide
Chemical analysis
Hydroxyapatite
Carbon Dioxide
Spectrometry
Thermogravimetric analysis
Carbon dioxide
Substitution reactions
Carbon
Phase transitions
carboapatite
Heating

ASJC Scopus subject areas

  • Materials Science(all)
  • Mechanics of Materials
  • Mechanical Engineering

Cite this

Crystal structure refinement of A-type carbonate apatite by X-ray powder diffraction. / Tonegawa, Toru; Ikoma, Toshiyuki; Yoshioka, Tomohiko; Hanagata, Nobutaka; Tanaka, Junzo.

In: Journal of Materials Science, Vol. 45, No. 9, 05.2010, p. 2419-2426.

Research output: Contribution to journalArticle

Tonegawa, Toru ; Ikoma, Toshiyuki ; Yoshioka, Tomohiko ; Hanagata, Nobutaka ; Tanaka, Junzo. / Crystal structure refinement of A-type carbonate apatite by X-ray powder diffraction. In: Journal of Materials Science. 2010 ; Vol. 45, No. 9. pp. 2419-2426.
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