Redetermination of katayamalite, KLi3Ca7Ti 2(SiO3)12(OH)2

Marcelo B. Andrade, Donald Doell, Robert T Downs, Hexiong Yang

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Abstract

The crystal structure of katayamalite, ideally KLi3Ca7Ti2(SiO3)12(OH)2 (potassium trilithium heptacalcium dititanium dodecasilicate dihydroxide), was previously reported in triclinic symmetry (C-1), with isotropic displacement parameters for all atoms and without the H-atom position [Kato & Murakami (1985). Mineral. J. 12, 206-217]. The present study redetermines the katayamalite structure with monoclinic symmetry (space group C2/c) based on single-crystal X-ray diffraction data from a sample from the type locality, Iwagi Island, Ehime Prefecture, Japan, with anisotropic displacement parameters for all non-H atoms, and with the H atoms located by difference Fourier analysis. The structure of katayamalite contains a set of six-membered silicate rings interconnected by sheets of Ca atoms on one side and by an ordered mixture of Li, Ti and K atoms on the other side, forming layers which are stacked normal to (001). From the eight different metal sites, three are located on special positions, viz. one K and one Li atom on twofold rotation axes and one Ca atom on an inversion center. The Raman spectrum of kataymalite shows a band at 3678 cm-1, similar to that observed for hydroxyl-amphiboles, indicating no or very weak hydrogen bonding.

Original languageEnglish (US)
JournalActa Crystallographica Section E: Structure Reports Online
Volume69
Issue number7
DOIs
Publication statusPublished - Jul 2013

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ASJC Scopus subject areas

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

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