UNSPECIFIED (1991) POTASSIUM TITANYL PHOSPHATE, KTIOPO4 .2. STRUCTURAL INTERPRETATION OF TWINNING, ION-EXCHANGE AND DOMAIN INVERSION. JOURNAL OF APPLIED CRYSTALLOGRAPHY, 24 (Part 5). pp. 968-971. ISSN 0021-8898

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Abstract

In the KTiOPO4 (KTP) structure, it is shown that there are hole sites related by pseudosymmetry to the inequivalent potassium sites K(1) and K(2). The formation of twin domains is through a twofold rotation with the principal feature of the twinning being the displacements of the K atoms onto their respective hole sites thus reversing the polarity of the crystal. Ionic diffusion paths for K+ along [001] involving both potassium and hole sites are described and are used to explain the enhanced ionic conductivity seen along this direction in KTP crystals. With this structural model, an explanation is also given for the reported phenomenon of domain inversion which is known to occur in the modified layer when Rb+ and Ba2+ are substituted into one of the {001} surfaces of KTP. It is shown from structural principles that ion exchange should be more efficient at the -Z end of the crystal, as is indeed observed in practice.

Item Type:	Journal Item
Subjects:	Q Science > QD Chemistry
Journal or Publication Title:	JOURNAL OF APPLIED CRYSTALLOGRAPHY
Publisher:	MUNKSGAARD INT PUBL LTD
ISSN:	0021-8898
Date:	1 October 1991
Volume:	24
Number:	Part 5
Number of Pages:	4
Page Range:	pp. 968-971
Publication Status:	Published
URI:	http://wrap.warwick.ac.uk/id/eprint/22412

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