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]
- 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), Vol. 5:7; ISSN 0897-4756
- Country of Publication:
- United States
- Language:
- English
Similar Records
The niobium phosphate bronze. beta. -K sub 2 Na sub 2 minus x Nb sub 8 P sub 5 O sub 34 , second form of the first member of the series (K sub 3 Nb sub 6 P sub 4 O sub 26 ) sub n KNb sub 2 PO sub 8
(H[sub 2]NC[sub 4]H[sub 8]NH[sub 2])[(VO)[sub 2](PO[sub 4])[sub 2]] and (H[sub 2]NC[sub 4]H[sub 8]NH[sub 2])[sub 2][(VO)[sub 3](HPO[sub 4])[sub 2](PO[sub 4])[sub 2]][center dot]H[sub 2]O: Novel layered vanadium phosphates with distorted and defected VOPO[sub 4] layers
Related Subjects
LITHIUM COMPOUNDS
OPTICAL PROPERTIES
STRUCTURAL CHEMICAL ANALYSIS
NIOBIUM OXIDES
PHOSPHATES
POTASSIUM COMPOUNDS
SODIUM COMPOUNDS
TANTALUM PHOSPHATES
ABSORPTION SPECTROSCOPY
CHEMICAL PREPARATION
CRYSTAL STRUCTURE
ION EXCHANGE MATERIALS
LATTICE PARAMETERS
NONLINEAR OPTICS
NUCLEAR MAGNETIC RESONANCE
RUBIDIUM
SILVER
SOLID SOLUTIONS
THERMAL GRAVIMETRIC ANALYSIS
TRIGONAL LATTICES
X-RAY DIFFRACTION
ALKALI METAL COMPOUNDS
ALKALI METALS
CHALCOGENIDES
CHEMICAL ANALYSIS
COHERENT SCATTERING
CRYSTAL LATTICES
DIFFRACTION
DISPERSIONS
ELEMENTS
GRAVIMETRIC ANALYSIS
MAGNETIC RESONANCE
MATERIALS
METALS
MIXTURES
NIOBIUM COMPOUNDS
OPTICS
OXIDES
OXYGEN COMPOUNDS
PHOSPHORUS COMPOUNDS
PHYSICAL PROPERTIES
QUANTITATIVE CHEMICAL ANALYSIS
REFRACTORY METAL COMPOUNDS
RESONANCE
SCATTERING
SOLUTIONS
SPECTROSCOPY
SYNTHESIS
TANTALUM COMPOUNDS
THERMAL ANALYSIS
TRANSITION ELEMENT COMPOUNDS
TRANSITION ELEMENTS
360606* - Other Materials- Physical Properties- (1992-)
360602 - Other Materials- Structure & Phase Studies