Space group and structure for the perovskite Ca0.5Sr0.5TiO3

C. J. Howard*, R. L. Withers, B. J. Kennedy

*Corresponding author for this work

    Research output: Contribution to journalArticlepeer-review

    60 Citations (Scopus)


    Powder diffraction patterns from Ca1-xSrxTiO3, at x = 0.5, show superlattice peaks indicative of both R-(q = 1/2 [111]p*) and M-(q = 1/2 [110]p*) point octahedral tilting, though the metric is pseudo-tetragonal and indeed very nearly cubic. In a previous study [C. J. Ball, B. D. Begg, D. J. Cookson, G. J. Thorogood, and E. R. Vance, J. Solid State Chem. 139, 238-247 (1998)] this pseudo-tetragonal structure was assigned to space group Cmcm (orthorhombic) rather than to space group Pnma, the accepted space group for the structure of CaTiO3. These two space groups are, however, very difficult to distinguish by powder diffraction techniques. Electron diffraction has been used to obtain diffraction patterns from single domain regions and by such means it has been established unequivocally that the space group at room temperature is not Cmcm but Pnma.

    Original languageEnglish
    Pages (from-to)8-12
    Number of pages5
    JournalJournal of Solid State Chemistry
    Issue number1
    Publication statusPublished - 2001


    Dive into the research topics of 'Space group and structure for the perovskite Ca0.5Sr0.5TiO3'. Together they form a unique fingerprint.

    Cite this