Richard Jarman - Isomorphous Substitution in KTiOPO4: A Single Crystal Diffraction Study of Members of the K1-xNaxTiOPO4 Solid Solution

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  Isomorphous   Substitution in KTiOPO4: A Single Crystal Diffraction   Study of Members of the   K1-xNaxTiOPO4 Solid Solution,   S.J. Crennell, R.E. Morris, A.K. Cheetham and R.H. Jarman, Chem.   Mater., 4, 82   (1992).


  K0.42Na0.58TiOP04 was prepared by sodium ion exchange into   KTiOPO4 at 350 C . Crystal data:

  orthorhombic, Pn21a (33), a = 12.7298 (21), b = 10.6073 (13), c =   6.3074 (4) A, V = 861.7 A3, Z = 4, Dc=

  2.942 g/cm3, F(000) = 736. A sample was subsequently annealed at   700 C . The structure of the ion-exchanged

  material is very similar to that found after annealing and is   also consistent with that obtained

  in an earlier powder diffraction and solid-state NMR study of   K0.5Na0.5TiOPO4, confirming the validity

  of the powder work. There is considerable ordering over the two   sites (site 1 0.933 (1) Na:0.067 (1) K;

  site 2 0.773 (7) K:0.227 (7) Na), and the single-crystal   diffraction data are of sufficient resolution to detect

  the differing positions for the two cations on each site. Cation   substitution does not affect the surrounding

  oxygen coordination sphere.

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