The Crystal Structure of Sr2TiSi2O8

Sr2TiSi2O8 single crystals were grown by Czochralski pulling and from a high-temperature solution. X-ray diffractometry revealed the modulated crystal structure of Sr2TiSi2O8 to belong to the 5D superspace group P4bm (-alpha, alpha, 1/2; alpha, alpha, 1/2) with alpha=0.3. Atomic positions, anisotropic displacement factors and positional modulation parameters for Sr2TiSi2O8 are determined and discussed. The positional modulation is further investigated by electron diffraction and highresolution transmission electron microscopy. In the latter experiments, the 2D modulation appears to be superimposed by some 1D modulation waves. This effect is discussed in terms of growth conditions.