New open-framework nonlinear optical materials. Crystal structure of Na[sub 1/2](H[sub 3]O)[sub 1/2]Nb[sub 2]PO[sub 8] and physical properties of the solid solution K[sub 2/3]Li[sub 1/3]Nb[sub 2[minus]x]Ta[sub x]PO[sub 8]
Journal Article
·
· Chemistry of Materials; (United States)
- Univ. of California, Santa Barbara, CA (United States)
- Univ. of Houston, TX (United States)
The syntheses, structures, and physical properties of several members of a new family of noncentrosymmetric, open-framework, ion-exchangeable phases which have a substantial nonlinear optical response (Nd:YAG 1064 nm) are described. Single-crystal (to 2 mm) hydrothermal synthesis of Na[sub 1/2](H[sub 3]O)[sub 1/2]Nb[sub 2]PO[sub 8] was carried out at 30,000-40,000 psi and 650-700[degrees]C. The structure of Na[sub 1/2](H[sub 3]O)[sub 1/2]Nb[sub 2]PO[sub 8], as determined from single-crystal X-ray data consists of an octahedral (NbO[sub 6])/tetrahedral (PO[sub 4]) framework, connected via Nb-O-P and Nb-O-Nb bonds, with cavities and channels occupied by the Na[sup +] and H[sub 3]O[sup +] cations. Members of the solid solution K[sub 2/3]Li[sub 1/3]Nb[sub 2[minus]x]Ta[sub x]PO[sub 8] (0 < x < 2) have been synthesized as powders by solid-state methods and are all isomorphous with Na[sub 1/2](H[sub 3]O)[sub 1/2]Nb[sub 2]PO[sub 8]. Various ion-exchange reactions with NH[sub 4][sup +], Rb[sup +], and Ag[sup +] are possible. These materials have been characterized by X-ray powder diffraction, TGA, [sup 31]P MAS NMR spectroscopy, second-harmonic generation measurements, and UV/visible spectroscopy. Crystal data: Na[sub 1/2](H[sub 3]O)[sub 1/2]Nb[sub 2]PO[sub 8], M[sub r] = 364.94, rhombohedral, R32 (No. 155), a = 8.4962 [angstrom], [alpha] = 104.775[degrees], V = 538.77 [angstrom][sup 3], Z = 3, R = 2.88%, R[sub w] = 3.56% for 66 parameters and 743 observations [I > 3[sigma](I)]. 23 refs., 10 figs., 5 tabs.
- OSTI ID:
- 5042877
- Journal Information:
- Chemistry of Materials; (United States), Journal Name: Chemistry of Materials; (United States) Vol. 5:7; ISSN CMATEX; ISSN 0897-4756
- Country of Publication:
- United States
- Language:
- English
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Related Subjects
36 MATERIALS SCIENCE
360602 -- Other Materials-- Structure & Phase Studies
360606* -- Other Materials-- Physical Properties-- (1992-)
ABSORPTION SPECTROSCOPY
ALKALI METAL COMPOUNDS
ALKALI METALS
CHALCOGENIDES
CHEMICAL ANALYSIS
CHEMICAL PREPARATION
COHERENT SCATTERING
CRYSTAL LATTICES
CRYSTAL STRUCTURE
DIFFRACTION
DISPERSIONS
ELEMENTS
GRAVIMETRIC ANALYSIS
ION EXCHANGE MATERIALS
LATTICE PARAMETERS
LITHIUM COMPOUNDS
MAGNETIC RESONANCE
MATERIALS
METALS
MIXTURES
NIOBIUM COMPOUNDS
NIOBIUM OXIDES
NONLINEAR OPTICS
NUCLEAR MAGNETIC RESONANCE
OPTICAL PROPERTIES
OPTICS
OXIDES
OXYGEN COMPOUNDS
PHOSPHATES
PHOSPHORUS COMPOUNDS
PHYSICAL PROPERTIES
POTASSIUM COMPOUNDS
QUANTITATIVE CHEMICAL ANALYSIS
REFRACTORY METAL COMPOUNDS
RESONANCE
RUBIDIUM
SCATTERING
SILVER
SODIUM COMPOUNDS
SOLID SOLUTIONS
SOLUTIONS
SPECTROSCOPY
STRUCTURAL CHEMICAL ANALYSIS
SYNTHESIS
TANTALUM COMPOUNDS
TANTALUM PHOSPHATES
THERMAL ANALYSIS
THERMAL GRAVIMETRIC ANALYSIS
TRANSITION ELEMENT COMPOUNDS
TRANSITION ELEMENTS
TRIGONAL LATTICES
X-RAY DIFFRACTION
360602 -- Other Materials-- Structure & Phase Studies
360606* -- Other Materials-- Physical Properties-- (1992-)
ABSORPTION SPECTROSCOPY
ALKALI METAL COMPOUNDS
ALKALI METALS
CHALCOGENIDES
CHEMICAL ANALYSIS
CHEMICAL PREPARATION
COHERENT SCATTERING
CRYSTAL LATTICES
CRYSTAL STRUCTURE
DIFFRACTION
DISPERSIONS
ELEMENTS
GRAVIMETRIC ANALYSIS
ION EXCHANGE MATERIALS
LATTICE PARAMETERS
LITHIUM COMPOUNDS
MAGNETIC RESONANCE
MATERIALS
METALS
MIXTURES
NIOBIUM COMPOUNDS
NIOBIUM OXIDES
NONLINEAR OPTICS
NUCLEAR MAGNETIC RESONANCE
OPTICAL PROPERTIES
OPTICS
OXIDES
OXYGEN COMPOUNDS
PHOSPHATES
PHOSPHORUS COMPOUNDS
PHYSICAL PROPERTIES
POTASSIUM COMPOUNDS
QUANTITATIVE CHEMICAL ANALYSIS
REFRACTORY METAL COMPOUNDS
RESONANCE
RUBIDIUM
SCATTERING
SILVER
SODIUM COMPOUNDS
SOLID SOLUTIONS
SOLUTIONS
SPECTROSCOPY
STRUCTURAL CHEMICAL ANALYSIS
SYNTHESIS
TANTALUM COMPOUNDS
TANTALUM PHOSPHATES
THERMAL ANALYSIS
THERMAL GRAVIMETRIC ANALYSIS
TRANSITION ELEMENT COMPOUNDS
TRANSITION ELEMENTS
TRIGONAL LATTICES
X-RAY DIFFRACTION