UNSPECIFIED. (1994) STRUCTURE AND NONLINEAR-OPTICAL PROPERTIES OF KTIOASO4. ACTA CRYSTALLOGRAPHICA SECTION B-STRUCTURAL SCIENCE, 50 (Part 6). pp. 655-662. ISSN 0108-7681

Abstract

Refinements of the crystal structures of potassium titanyl arsenate, KTiOAsO4, grown from a tungstate flux (1) and an arsenate flux (2), are reported. Crystal data at room temperature are: (1) KTiOAsO4, orthorhombic, Pna2(1), a = 13.138 (2), b = 6.582 (1), c = 10.787 (2) Angstrom, Z = 8, R = 0.027 for 2086 reflections with I > 3 sigma(1); (2) KTiOAsO4, orthorhombic, Pna2(1), a = 13.130 (2), b = 6.581 (1), c = 10.781 (1) Angstrom, Z = 8, R = 0.020 for 2716 observed reflections with I > 3 sigma(1). The values of the linear and non-linear optical susceptibilities for KTiOAsO4 are discussed using the isostructural non-linear optical crystal KTiOPO4 as a starting point. The observed increase in certain nonlinear optical coefficients of KTiOAsO4 is shown to derive principally from the increase in the linear refractive indices brought about by the substitution of phosphorus by arsenic in the structure.

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