The crystal structure of rutile as a function of temperature up to 1600°C

Kazumasa Sugiyama, Yoshio Takéuchi

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86 Citations (Scopus)


The crystal structure of rutile (TiO2) has been studied at high temperatures up to about 1600°C based on sets of single crystal X-ray diffraction intensities collected on a four-circle diffractometer. The thermal expansion coefficients for the a and c-axes in the measured temperature range were aa [formula omitted] and ac [formula omitted], respectively. The thermal response of the octahedra about Ti is such that the thermal coefficient for the four short equatorial Ti —O bonds was [formula omitted] and for the two long apical Ti —O bonds [formula omitted]. The rate of thermal expansion of the octahedral shared edge is relatively large under ~ 1200° C, while it becomes small above ~ 1200°C. An l to l0 ratio, which we denote shrinkage index, however, decreases with the raise of temperature (l = the length of the shared edge at a temperature; l0 = the edge length of a regular octahedron having the same volume as the Ti octahedron has at the same temperature).

Original languageEnglish
Pages (from-to)305-313
Number of pages9
JournalZeitschrift fur Kristallographie - New Crystal Structures
Issue number3-4
Publication statusPublished - 1991

ASJC Scopus subject areas

  • Materials Science(all)
  • Condensed Matter Physics
  • Inorganic Chemistry


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