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Zeitschrift für Kristallographie - Crystalline Materials

Editor-in-Chief: Pöttgen, Rainer

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

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Struktur und Fehlordnung des Vaterits*

H. J. Meyer

Citation Information: Zeitschrift für Kristallographie. Volume 128, Issue 3-6, Pages 183–212, ISSN (Online) 0044-2968, ISSN (Print) 1433-7266, DOI: 10.1524/zkri.1969.128.3-6.183, July 2010

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Single-crystal photographs of vaterite (μ CaCO3) show numerous diffuse streaks ‖c* with maxima which require an increase in the previous lattice parameter a by a factor [unk]3 to 7.15 Å, and doubling (sometimes trebling) of c to 16.94 Å; moreover satellite reflections were observed. The structure of vaterite can be considered as a disordered stacking sequence of single layers of trigonal symmetry which are mostly related by glide reflections and sometimes by a screw operation ‖c. Sequences of two layers AA′ and of four layers AABB′ may be considered as states of order which are approached; the partial sequences ABAB and ABAB′ correspond to the principle of the hexagonal closest packing. For a more exact treatment one has to consider the deformations of the primitive hexagonal partial lattice array of the calcium atoms also. The average structure agrees in general with Kamhi's proposal; but the CO3 group has to be centered around (j) of space group P63/mmc with an occupancy of one sixth only. The least-squares refinement reduced R to 0.115. The oxygen atoms form distorted cubes around the calcium atoms. Conclusions are drawn concerning the structures of rare-earth borates and of the bastnaesite-vaterite series.

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