Abstract
The crystal structures of a flux-grown crystal, K 0.86 Rb 0.14 TiOPO 4 , and an Rb/Ba ion-exchanged KTiOPO 4 crystal, K 0.84 Rb 0.16 TiOPO 4 , are refined and compared. Both crystals are isostructural with potassium titanyl phosphate, KTiOPO 4 . In both crystals, Rb substitutes for K only on the K(2) site with the crystallographically distinct K(1) site being solely occupied by K. However, in the ion-exchanged crystal, a residual electron density (2.6 e A -3 ) is found on a site that is normally a void in the KTiOPO 4 structure and that has been suggested as an essential site in the process of domain inversion by ion exchange in KTiOPO 4
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