Crystal structure of the commensurately modulated ζ phase of PAMC

P. Harris, F.K. Larsen, B. Lebech, N. Achiwa

    Research output: Contribution to journalJournal articleResearch


    The commensurately modulated zeta low-temperature phase of bis(propylammonium) tetrachloromanganate(II), [NH3(C3H7)]2MnCl4, has been determined at 8 K. a = 7.437 (5), b = 7.082 (5), c = 13.096 (8) Angstrom, alpha = 105.59 (1)degrees. Superspace group P2(1)/b(0 beta 0)(1) over bar s, with beta = 1/3, V = 664.4, Z = 2 D-x = 1.58 g cm(-3) Mo K alpha radiation, lambda = 0.71069 Angstrom, mu = 17.99 cm(-1) F(000) = 326, wR(F) = 0.064 for 1444 main reflections and wR(F) = 0.089 for 248 satellite reflections. The modulation vector flips and locks into a commensurate value compared with the epsilon phase, indicating a 'lock-in' and phase shift between adjacent modulated layers. The modulation waves do not change much from the values of the epsilon phase, which confirms the lock-in of the modulation vector; only some components of the modulations of the propylammonium chains appear to be significantly different, these chains appear to be responsible for the phase shift across the layers.
    Original languageEnglish
    JournalActa Cryst. B
    Pages (from-to)676-684
    Publication statusPublished - 1994


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