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Title: The differnces between bond lengths in biogenic and geologocal calcite.

Abstract

We used high-resolution neutron powder diffraction to accurately measure the atomic positions and bond lengths in biogenic and geological calcite. A special procedure for data analysis was developed in order to take into account the considerable amounts of magnesium present in all the investigated samples. As a result, in biogenic calcite we found some atomic bonds to have significantly different lengths as compared to those in geological calcite, after the contribution of magnesium is accounted for. The maximum effect (elongation up to 0.7%) was found for the C-O bonds. We also analyzed changes in frequencies and spectral widths of normal vibrations of carbonate groups in biogenic calcite (as compared to geological calcite) measured by Raman and Fourier transform IR techniques. Surprisingly, the frequency shifts after subtracting the magnesium contribution are close to zero. At the same time, substantial spectral broadening (up to 1.2%) in biogenic calcite as compared to geological samples was detected. Possible explanations for the experimental findings are discussed.

Authors:
; ; ; ; ; ; ; ;  [1]
  1. X-Ray Science Division
Publication Date:
Research Org.:
Argonne National Lab. (ANL), Argonne, IL (United States)
Sponsoring Org.:
USDOE Office of Science (SC)
OSTI Identifier:
1028603
Report Number(s):
ANL/XSD/JA-65103
Journal ID: ISSN 1528-7483; TRN: US201122%%761
DOE Contract Number:  
DE-AC02-06CH11357
Resource Type:
Journal Article
Journal Name:
Crystal Growth and Design
Additional Journal Information:
Journal Volume: 10; Journal Issue: 3; Journal ID: ISSN 1528-7483
Country of Publication:
United States
Language:
ENGLISH
Subject:
37 INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; BOND LENGTHS; CALCITE; CARBONATES; COMPARATIVE EVALUATIONS; DATA ANALYSIS; ELONGATION; FREQUENCY ANALYSIS; LINE BROADENING; LINE WIDTHS; MAGNESIUM; NEUTRON DIFFRACTION; POWDERS

Citation Formats

Zlotoyabko, E, Caspi, E N, Fieramosca, J S, Von Dreele, R B, Marin, F, Mor, G, Politi, Y, Addadi, L, Weiner, S, PNS), Technion-Israel Inst. of Tech.), Nuclear Research Centre), Univ. de Bourgogne), and Weizmann Inst. of Science). The differnces between bond lengths in biogenic and geologocal calcite.. United States: N. p., 2010. Web. doi:10.1021/cg901195t.
Zlotoyabko, E, Caspi, E N, Fieramosca, J S, Von Dreele, R B, Marin, F, Mor, G, Politi, Y, Addadi, L, Weiner, S, PNS), Technion-Israel Inst. of Tech.), Nuclear Research Centre), Univ. de Bourgogne), & Weizmann Inst. of Science). The differnces between bond lengths in biogenic and geologocal calcite.. United States. doi:10.1021/cg901195t.
Zlotoyabko, E, Caspi, E N, Fieramosca, J S, Von Dreele, R B, Marin, F, Mor, G, Politi, Y, Addadi, L, Weiner, S, PNS), Technion-Israel Inst. of Tech.), Nuclear Research Centre), Univ. de Bourgogne), and Weizmann Inst. of Science). Fri . "The differnces between bond lengths in biogenic and geologocal calcite.". United States. doi:10.1021/cg901195t.
@article{osti_1028603,
title = {The differnces between bond lengths in biogenic and geologocal calcite.},
author = {Zlotoyabko, E and Caspi, E N and Fieramosca, J S and Von Dreele, R B and Marin, F and Mor, G and Politi, Y and Addadi, L and Weiner, S and PNS) and Technion-Israel Inst. of Tech.) and Nuclear Research Centre) and Univ. de Bourgogne) and Weizmann Inst. of Science)},
abstractNote = {We used high-resolution neutron powder diffraction to accurately measure the atomic positions and bond lengths in biogenic and geological calcite. A special procedure for data analysis was developed in order to take into account the considerable amounts of magnesium present in all the investigated samples. As a result, in biogenic calcite we found some atomic bonds to have significantly different lengths as compared to those in geological calcite, after the contribution of magnesium is accounted for. The maximum effect (elongation up to 0.7%) was found for the C-O bonds. We also analyzed changes in frequencies and spectral widths of normal vibrations of carbonate groups in biogenic calcite (as compared to geological calcite) measured by Raman and Fourier transform IR techniques. Surprisingly, the frequency shifts after subtracting the magnesium contribution are close to zero. At the same time, substantial spectral broadening (up to 1.2%) in biogenic calcite as compared to geological samples was detected. Possible explanations for the experimental findings are discussed.},
doi = {10.1021/cg901195t},
journal = {Crystal Growth and Design},
issn = {1528-7483},
number = 3,
volume = 10,
place = {United States},
year = {2010},
month = {1}
}