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Zeitschrift für Kristallographie - Crystalline Materials

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Ed. by Antipov, Evgeny / Bismayer, Ulrich / Boldyreva, Elena V. / Huppertz, Hubert / Petrícek, Václav / Tiekink, E. R. T.

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Refinement of the structure of Ikaite, CaCO3 · 6H2O

K.-F. Hesse / H. Küppers / E. Suess

Citation Information: Zeitschrift für Kristallographie - Crystalline Materials. Volume 163, Issue 3-4, Pages 227–231, ISSN (Online) 2196-7105, ISSN (Print) 2194-4946, DOI: https://doi.org/10.1524/zkri.1983.163.3-4.227, August 2010

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Ikaite, CaCO3 · 6H2O, is monoclinic, C2/c, with a = 8.792(2), b = 8.310(2), c = 11.021(2) Å, β = 110.53(5)°, Z = 4. With 2205 independent reflections taken at −25°C of a naturally grown crystal specimen the structure was refined to a weighted Rw = 0.028. The CO3 group is planar with C – O distances 1.279(2) and 1.290(1) (2 ×) Å. The hydrogen bond network is determined. The optical behaviour is explained by structural characteristics.

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