Kristallstruktur und Infrarot-Absorptionsspektrum von synthetischem Monohydrocalcit, CaCO3�H2O

Abstract

The crystal structure of synthetic monohydrocalcite was solved withPatterson andFourier syntheses and refined for the subcell witha=6.0931 (9) A,c=7.5446 (18) A, space group P3121 or P3221,Z=3 toRw=0.039. Very weak superstructure reflections define a cell with\(a = a' \cdot \sqrt 3 \) andc=c, space group P31 or P32,Z=9. The superstructure result from ordering of the CO3 groups and was refined with rigid carbonate groups toRw=0.086. The interpretation of the IR spectrum is in agreement with the results of the X-ray structure analysis.