Several crystals of kalsilite were synthesized and the structural refinement was carried out to elucidate the structural detail of the pure end-member of the KAlSiO
4. The crystal is hexagonal,
P6
3, with
a=5,151(5) and
c=8.690(8)Å. The structure was refined by the full-matrix least-squares method on the basis of counter measured intensity data. The structure agrees with those of the natural specimen. But it has the same domain structure as alkali-exchanged specimens investigated previously. The oxygen atoms which link tetrahedral atoms forming ditrigonal rings are disordered at two mirror-equivalent sites. The site occupancy ratio of oxygen atoms between these two positions were also refined on the assumption of the existence of domain structures inside the X-ray coherent regions. The final
R-value is 0.084 for 373 observed reflections. While the alkali-exchanged specimens give diffuse streaks parallel to the
c* direction corresponding to the structural disorder in the stacking on the (001) plane, the specimens now investigated give sharp diffraction spots along the
c* direction. The ratio of the volumes of the coherent range of domain structure differs from one specimen to another. The structural relation between the two
P6
3 domain structures corresponds to the twinning by merohedry after the classification by Friedel.
抄録全体を表示