Ingrin, Jannick and Kovács, István János and Deloule, Etienne and Balan, Etienne and Blanchard, Marc and Kohn, Simon C. and Hermann, Joerg (2014) Identification of hydrogen defects linked to boron substitution in synthetic forsterite and natural olivine. American Mineralogist, 99 (10). pp. 2138-2144. ISSN 0003-004X
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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 (//z), 3598 (//x,y), {{AU:OK?}} 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 n3 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.
| Item Type: | Article |
|---|---|
| Subjects: | Q Science / természettudomány > QD Chemistry / kémia > QD05 Crystallography / kristálytan Q Science / természettudomány > QD Chemistry / kémia > QD06 Mineralogy / ásványtan Q Science / természettudomány > QE Geology / földtudományok > QE02 Geochemistry / geokémia |
| Depositing User: | Dr. István János Kovács |
| Date Deposited: | 03 Oct 2016 18:38 |
| Last Modified: | 04 Apr 2023 11:46 |
| URI: | http://real.mtak.hu/id/eprint/41014 |
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Identification of hydrogen defects linked to boron substitution in synthetic forsterite and natural olivine. (deposited 24 Sep 2014 15:41)
- Identification of hydrogen defects linked to boron substitution in synthetic forsterite and natural olivine. (deposited 03 Oct 2016 18:38) [Currently Displayed]
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