Refinement of hydrogen positions in natural chondrodite by powder neutron diffraction: implications for the stability of humite minerals

被引：12

作者：

Berry, AJ ^{[1
]}

James, M

机构：

[1] Australian Natl Univ, Res Sch Earth Sci, Canberra, ACT 0200, Australia

[2] Australian Nucl Sci & Technol Org, Neutron Scattering Grp, Menai, NSW 2234, Australia

来源：

MINERALOGICAL MAGAZINE | 2002年 / 66卷 / 03期

关键词：

powder neutron diffraction; chondrodite; Rietveld refinement; humite minerals;

D O I：

10.1180/0026461026630040

中图分类号：

P57 [矿物学];

学科分类号：

070901 ;

摘要：

The structure of a natural sample of chondrodite (Mg4.89Fe0.07Si2.04O8F1.54(OH)(0.46)) was refined using powder neutron diffraction data and the Rietveld technique (P2(1)/b; Z = 2; a = 4.7204(1) Angstrom, b = 10.2360(3) Angstrom; c = 7.8252(2) Angstrom; alpha = 109.11(1)degrees; V = 357.26(2) Angstrom(3)). Hydrogen was found to occupy the H I site. The significance of hydrogen at this site is discussed in terms of hydrogen-bond stabilization of humite structures containing varying amounts of OH, F and Ti. Arguments are proposed as to why the F and Ti contents of natural humites usually result in only one H per formula unit when there is no crystal-chemical reason why fully hydrated samples should not be favoured.

引用

页码：441 / 449

页数：9

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