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Thomas Höche, Saeid Esmaeilzadeh, Ray L. Withers, Henning Schirmer
Structural studies on the Fresnoite type compound Ba2VSi2O8
Single crystals of Ba2VSi2O8 have successfully been grown from a high-temperature solution and single crystal X-ray diffraction used to refine its fresnoite type average crystal structure. In contrast to other recently investigated representatives of the fresnoite family of compounds, Ba2VSi2O8 did not at first appear to be incommensurately modulated. Neither single crystal X-ray diffraction nor powder neutron diffraction gave any indication for the existence of satellite reflections in addition to the strong average structure Bragg reflections. A careful electron diffraction study, however, has revealed the existence of weak incommensurate satellite reflections characterized by the primitive primary modulation wave-vectors q1 = 0.297 [110]* ½c* and q2 = 0.297 [1-10]* + ½c*. The reciprocal space positioning of these incommensurate primary modulation wave-vectors, the overall (3 + 2)-d superspace group symmetry, as well as the shapes of the refined displacement ellipsoids determined from the single crystal XRD refinement are all consistent with their arising from condensed Rigid Unit Mode (RUM) modes of distortion of the Ba2VSi2O8 parent structure. The weakness of the satellite reflections in Ba2VSi2O8 relative to, for example, Ba2TiGe2O8 or Sr2TiSi2O8 arises from the significantly smaller amplitude of the condensed RUM mode as is clear from the magnitudes of the refined average structure anistropic displacement ellipsoids.
Zeitschrift für Kristallographie, Oldenbourg Wissenschaftsverlag
Print ISSN: 0044-2968
Volume: 218, 12/2003
Pages: 788