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GEOREF RECORD

Investigation of the {104} surface of calcite under dry and humid atmospheric conditions with grazing incidence X-ray diffraction (GIXRD)

Uta Magdans, Hermann Gies, Xavier Torrelles and Jordi Rius
Investigation of the {104} surface of calcite under dry and humid atmospheric conditions with grazing incidence X-ray diffraction (GIXRD)
European Journal of Mineralogy (February 2006) 18 (1): 83-92

Abstract

The three-dimensional and interface structure of the {104} calcite surface was studied under dry and humid atmospheric conditions. The measurement of specular and non-specular crystal truncation rods gave information about the periodic order of the vertical and lateral surface structure on the atomic scale. The calcite surface is nearly ideally terminated with relaxation of the atoms in the topmost layers down to approximately 12 Aa depth. In a dry environment the calcite surface is dominantly determined by the large shift, rotation and tilt of the surface carbonate groups. In humid conditions, a laterally ordered monolayer of water is formed on the surface. The truncated coordination site of the surface Ca (super 2+) ions are filled by a water molecule at a distance of 2.1 + or - 0.2 Aa. The relaxation of the structure is changed significantly, which results in a strong distortion of the Ca-O coordination octahedron. The refinement of water as a complete rigid H (sub 2) O species positioned flat on the surface with one rotation parameter results in the formation of hydrogen bonds to the adjacent surface carbonate groups. No evidence was found for a surface reconstruction.


ISSN: 0935-1221
EISSN: 1617-4011
Serial Title: European Journal of Mineralogy
Serial Volume: 18
Serial Issue: 1
Title: Investigation of the {104} surface of calcite under dry and humid atmospheric conditions with grazing incidence X-ray diffraction (GIXRD)
Affiliation: Ruhr-Universitaet Bochum, Institut fuer Mineralogie/Kristallographie, Bochum, Federal Republic of Germany
Pages: 83-92
Published: 200602
Text Language: English
Publisher: Schweizerbart'sche Verlagsbuchhandlung (Naegele u. Obermiller), Stuttgart, Federal Republic of Germany
References: 21
Accession Number: 2006-036662
Categories: Mineralogy of non-silicates
Document Type: Serial
Bibliographic Level: Analytic
Illustration Description: illus. incl. 3 tables
Secondary Affiliation: CSIC, ESP, Spain
Country of Publication: Germany
Secondary Affiliation: GeoRef, Copyright 2017, American Geosciences Institute. Reference includes data from Mineralogical Abstracts, United KingdomTwickenhamUKUnited Kingdom
Update Code: 200620
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