Single-Crystal Structures and Optical Properties of the Nonlinear Optical KTiOPO 4 -Type Materials K 0.55 Li 0.45 TiOPO 4 and K 0.54 Li 0.46 TiOAsO 4 Prepared by Molten Salt Ion-Exchange
1997; American Chemical Society; Volume: 9; Issue: 5 Linguagem: Inglês
10.1021/cm960529o
ISSN1520-5002
AutoresWilliam T. A. Harrison, Mark L. F. Phillips, Galen D. Stucky,
Tópico(s)Solid-state spectroscopy and crystallography
ResumoSingle crystals of the KTiOPO4 (KTP) type phases K0.55Li0.45TiOPO4 and K0.54Li0.46TiOAsO4 have been prepared by molten salt ion-exchange reactions from their potassium-containing precursors. After ion-exchange, both phases maintain the distinctive distorted TiO6 octahedra seen in KTiOPO4 and KTiOAsO4. The pattern of lithium-ion substitution differs for these two phases: In K0.55Li0.45TiOPO4, Li substitutes for both of the two crystallographically distinct potassium cations to roughly equal extent, whereas in K0.54Li0.46TiOAsO4, the 9-coordinate K(2) atom is preferentially replaced by Li. The lithium cations occupy six-rings of TiO6 and PO4 polyhedra and adopt approximate square-planar coordination in both these materials. Second harmonic generation at 1064 nm is not significantly affected by lithium substitution in either of these phases. Crystal data: K0.55Li0.45TiOPO4: Mr = 183.55, orthorhombic, space group Pna21 (No. 33), a = 12.741(2) Å, b = 6.357(1) Å, c = 10.535(2) Å, V = 853(2) Å3, Z = 8, R(F) = 3.31% for 1393 reflections with I > 3σ(I). K0.54Li0.46TiOAsO4: Mr = 227.11, orthorhombic, space group Pna21 (No. 33), a = 13.018(2) Å, b = 6.589(1) Å, c = 10.766(2) Å, V = 923(2) Å3, Z = 8, R(F) = 3.76% for 1637 reflections [I > 3σ(I)].
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