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

Version 1

      Publication Details (including relevant citation   information):

      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.

      Address (URL): http://