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Verfeinerung der Kristallstruktur von Holmquistit vom Brandrücken/Weinebene, Koralpe, Österreich

Published/Copyright: August 25, 2010
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Abstract

The crystal structure of holmquistite Na0.04Ca0.02 Li1.91-Mg1.98Fe1.05Mn0.03Ti0.01Al1.93(Si7.87Al0.13)O22(OH)2 has been refined by single crystal X-ray methods using 1930 independent reflections. The space group is Pnma with the unit cell dimensions a = 18.254(2), b = 17.636(2), c = 5.270(1) Å and V = 1696.6(4) Å3, Z = 4. Chemical and optical data are given. The refinement of the atomic parameters and of the cation distribution gives final R-values of R = 0.023 and Rw = 0.027. The cation distribution is dominated by the preferential occupation of M4 by Li and of M2 by Al. M1 and M3 are not statistically occupied by Mg and Fe2+. The coordination of M4 is highly irregular with five next oxygens and two longer M4 – O-distances. The A-site is found to be empty.

Published Online: 2010-08-25
Published in Print: 1989

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