Acta Crystallographica Section B

Structural Science

Volume 56, Part 4 (August 2000)



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Acta Cryst. (2000). B56, 607-617    [doi:10.1107/S0108768100003219]

Analysis of LiKSO4 crystals in the temperature range from 573 to 943  K

C. B. Pinheiro, M. A. Pimenta, G. Chapuis and N. L. Speziali

Abstract: The structural phases observed in LiKSO_4 crystals due to thermotropic transitions have been studied for more than a century. Nowadays many different phases are referenced, but some of the results are still controversial. Structural studies by single-crystal X-ray diffraction from room temperature to 803  K are presented here. Phase II (708  \lt T  \lt 943  K) is extensively discussed on the basis of ordered and disordered models, using harmonic and anharmonic atomic displacements, and considering a twinned crystal composed of three orthorhombic domains. Analyses of the same phase at different temperatures determine the best structure model.

Online 1 August 2000


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Structure factor file (CIF format) (12.5 kbytes)
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Structure factor file (CIF format) (175.0 kbytes)
Contains datablock 723K


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Structure factor file (CIF format) (137.2 kbytes)
Contains datablock 803K


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