%0 Journal Article
%9 ACL : Articles dans des revues avec comité de lecture répertoriées par l'AERES
%A Ingrin, J.
%A Kovacs, I.
%A Deloule, E.
%A Balan, Etienne
%A Blanchard, M.
%A Kohn, S. C.
%A Hermann, J.
%T Identification of hydrogen defects linked to boron substitution in synthetic forsterite and natural olivine
%D 2014
%L fdi:010062626
%G ENG
%J American Mineralogist
%@ 0003-004X
%K Olivine ; forsterite ; FTIR ; hydrogen ; H-defects ; boron ; B-10 ; B-11 ; BO3
%K PAKISTAN
%M ISI:000342956700033
%N 10
%P 2138-2141
%R 10.2138/am-2014-5049
%U https://www.documentation.ird.fr/hor/fdi:010062626
%> https://www.documentation.ird.fr/intranet/publi/2014/11/010062626.pdf
%V 99
%W Horizon (IRD)
%X 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 B-10 and at 1256 and 1168 cm(-1) for the B-11 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 v(3) 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.
%$ 064