Redetermination of synthetic warwickite, Mg3TiO 2(BO3)2

Tetsuya Kawano, Hisanori Yamane

Research output: Contribution to journalArticle

3 Citations (Scopus)

Abstract

Single crystals of warwickite, trimagnesium titanium(IV) dioxide bis-(borate), Mg3TiO2(BO3)2, were prepared by slow cooling of the melt. The title compound is isotypic with Co3TiO2(BO3)2. In contrast to the previous refinement of warwickite [Moore & Araki (1974). Am. Mineral. 59, 985-1004], that reported only isotropic atomic displacement parameters for all atoms, anisotropic displacement parameters of all atoms were refined during the current redetermination. All atoms are situated on special positions (site symmetry.m.). One of the two Mg sites is statistically disordered with Ti atoms (ratio 1:1), while the other is fully occupied by Mg atoms. The occupancy ratio of the Mg and Ti atoms is similar to that reported in the previous study. Metal atoms (M) at the Ti/Mg and Mg sites are coordinated by six O atoms in form of distorted octa-hedra. Four edge-sharing MO6 octa-hedra form M 4O 18 units, which are connected by common corners into layers parallel to (010). Adjacent layers are linked along [010] into a framework structure by sharing common edges. The B atoms are located in the triangular prismatic tunnels of the framework.

Original languageEnglish
Pages (from-to)i18-i19
JournalActa Crystallographica Section E: Structure Reports Online
Volume67
Issue number2
DOIs
Publication statusPublished - 2011 Feb

ASJC Scopus subject areas

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

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