Letter. Identification of hydrogen defects linked to boron substitution in synthetic forsterite and natural olivine

Jannick Ingrin*, István Kovács, Etienne Deloule, Etienne Balan, Marc Blanchard, Simon C. Kohn, Joerg Hermann

*Corresponding author for this work

Research output: Contribution to journalArticle (Academic Journal)peer-review

21 Citations (Scopus)

Abstract

Experimental and theoretical evidence for the coupled substitution of B and H in synthetic forsterite and a natural olivine is presented. The intensities of OH bands at 3704 cm-1 (//z), 3598 cm-1 (//x,y), and 3525 cm-1 (//x) in a heterogeneous B-doped synthetic forsterite crystal matches the zoning of B concentration measured by ion probe. The two anti-symmetric stretching vibrations of BO3 groups occur at 1301 cm-1 (//x) and 1207 cm-1 (//z) for the 10B and at 1256 and 1168 cm-1 for the 11B isotope. A microscopic model of the mixed (B,H) defect that accounts for experimental observations is obtained from quantum mechanical calculations. The BO3 group lies on the (O3-O1-O3) face of the vacant Si site and the H atom is bonded to the O2 atom at the remaining apex. The occurrence of the same OH bands associated with v3 BO3 vibrations in a natural olivine sample from Pakistan confirms the occurrence of this defect in nature. The three diagnostic OH bands can be used as a signature of H associated with boron substitution in olivine and forsterite, leading to a quantitative analysis of their contribution to H-defects.

Original languageEnglish
Pages (from-to)2138-2141
Number of pages4
JournalAmerican Mineralogist
Volume99
Issue number10
DOIs
Publication statusPublished - 1 Jan 2014

Keywords

  • B
  • BO
  • boron
  • forsterite
  • FTIR
  • H-defects
  • hydrogen
  • Olivine

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