Cation vacancy and possible hydrogen positions in hydrous forsterite, Mg1.985Si0.993H0.06O4, synthesized at 13.5 GPa and 1300 °C

Yasuhiro Kudoh, Takahiro Kuribayashi, Hiroyuki Kagi, Toru Inoue

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25 Citations (Scopus)

Abstract

The crystal structure of a single crystal of synthetic hydrous forsterite, (Mg1.985Si0.993H0.06O4), synthesized at T= l300 °C and P = 13.5 GPa has been investigated using X-ray diffractometry and unpolarized infrared absorption spectroscopy. The data show an Mg atom occupancy of 98.6(2)% at the M(1) site and 99.9(2)% at the M(2) site, indicating that the cation vacancies predominantly occur at the M(1) site. A comparison of the calculated bond distances shows that the most probable H atom locations are at the O(2) and O(3) sites, where H may be located in association with the vacancy At the M(1) or the T site, forming hydrogen bonds between two oxygen pairs, O(3)-(1) and O(2)-O(1), which correspond to the OH stretching vibrations at 3566 cm-1 and 3612 cm-1 observed in the IR spectra.

Original languageEnglish
Pages (from-to)265-269
Number of pages5
JournalJournal of Mineralogical and Petrological Sciences
Volume101
Issue number5
DOIs
Publication statusPublished - 2006 Oct 14

Keywords

  • Cation vacancy
  • Hydrogen location
  • Hydrous forsterite

ASJC Scopus subject areas

  • Geophysics
  • Geology

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