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RESEARCH PAPER · Inorganic Chemistry · 2008

Polar Hexagonal Tungsten Bronze-Type Oxides: KNbW2O9, RbNbW2O9, and KTaW2O9

Hong Chang, T. Sivakumar, Kang Min Ok, P. Shiv Halasyamani

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Polar Hexagonal Tungsten Bronze-Type Oxides: KNbW2O9, RbNbW2O9, and KTaW2O9OriginalNoncentrosymmetry in Mixed Metal Oxide-Fluorides, Can We Control It?0ChemInform Abstract: Polar Hexagonal Tungsten Bronze‐Type Oxides: KNbW2O9, RbNbW2O9, KTaW2O9.0New compounds and structures in the solid state1Vibrational studies of hexagonal bronze systems: phonon calculation and high pressure induced phase transformation7Polar or Nonpolar? A+ Cation Polarity Control in A2Ti(IO3)6(A = Li, Na, K, Rb, Cs, Tl)306Ball milling-induced pyrochlore-to-tungsten bronze phase transition in RbNbWO60A Series of New Infrared NLO Semiconductors, ZnY6Si2S14, AlxDy3(SiyAl1−y)S7, and Al0.33Sm3SiS7134New Noncentrosymmetric Material - [N(CH3)4]ZnCl3: Polar Chains of Aligned ZnCl4 Tetrahedra63Polar Hexagonal Tungsten Oxide (HTO) Materials: (1) Synthesis, Characterization, Functional Properties, and Structure−Property Relationships in A2(MoO3)3(SeO3) (A = Rb+ and Tl+) and (2) Classification, Structural Distortions, and Second-Harmonic Generating Properties of Known Polar HTOs104First‐Principles Studies on Novel Polar Oxide ZnSnO3; Pressure‐Induced Phase Transition and Electric Properties56Continuous Symmetry Measures of Density Maps8Noncentrosymmetric Inorganic Oxide Materials: Synthetic Strategies and Characterisation Techniques8Interrelationship of Micro- and Macrostructure with Nonlinear Optical Properties of Simple and Binary Acentric Niobate Crystals7Vibrational properties of Cs4W11O35 and Rb4W11O35 systems: high pressure and polarized Raman spectra10A3V5O14 (A = K+, Rb+, or Tl+), New Polar Oxides with a Tetragonal Tungsten Bronze Related Structural Topology: Synthesis, Structure, and Functional Properties76Chemistry-Controlled Structural Relaxation and Enhanced Redox Abilities in Vanadium-Doped Two-Dimensional Semiconductive TeMo5O16 Catalyst2Top-Seeded Solution Crystal Growth and Functional Properties of a Polar Material—Na2TeW2O956Non-Centrosymmetric Tetrameric Assemblies of Tetramethylammonium Halides with Uranyl Salophen Complexes in the Solid State18Synthesis, Characterization, and Structure–Property Relationships in Two New Polar Oxides: Zn2(MoO4)(SeO3) and Zn2(MoO4)(TeO3)80Anisotropic Thermal Properties of the Nonlinear Optical and Polar Oxide Material Na2TeW2O931BiO(IO3): A New Polar Iodate that Exhibits an Aurivillius-Type (Bi2O2)2+ Layer and a Large SHG Response503Polymorphism of BaTeMo 2 O 9 : A New Polar Polymorph and the Phase Transformation186New Vanadium Selenites: Centrosymmetric Ca2(VO2)2(SeO3)3(H2O)2, Sr2(VO2)2(SeO3)3, and Ba(V2O5)(SeO3), and Noncentrosymmetric and Polar A4(VO2)2(SeO3)4(Se2O5) (A = Sr2+ or Pb2+)50Anisotropic thermal properties of the polar crystal Cs2TeMo3O1224Pressure-induced structural phase transitions and amorphization in selected molybdates and tungstates119Two New Noncentrosymmetric (NCS) Polar Oxides: Syntheses, Characterization, and Structure–Property Relationships in BaMTe2O7 (M = Mg2+ or Zn2+)50Deriving the magnitude of niobium off-center displacement in ferroelectric niobates from infrared spectroscopy18Integration of first-principles methods and crystallographic database searches for new ferroelectrics: Strategies and explorations51Synthesis, Structure, and Characterization of New Li+ – d0 –Lone-Pair – Oxides: Noncentrosymmetric Polar Li6(Mo2O5)3(SeO3)6 and Centrosymmetric Li2(MO3)(TeO3) (M = Mo6+ or W6+)47Temperature-dependent Raman scattering study on Cs4W11O35 and Rb4W11O35 systems9Chemistry of Polar Transition-Metal Oxides1Interrelationship “Structure-Property” for the Crystals of Noncentrosymmetric Tungstates9New Fluoride Carbonates: Centrosymmetric KPb2(CO3)2F and Noncentrosymmetric K2.70Pb5.15(CO3)5F367Computational study on the molecular structures and photoelectron spectra of bimetallic oxide clusters (M=V, Nb, Ta)8Synthesis and ferroelectric properties of platinum(II) complexes with chiral isoxazoline ligand11Metal Chalcogenides: A Rich Source of Nonlinear Optical Materials680Strontium adsorption on tantalum-doped hexagonal tungsten oxide62Synthesis and characterization of ASnF3 (A=Na+, K+, Rb+, Cs+)29Incorporation of tantalum ions enhances the electrocatalytic activity of hexagonal WO3 nanowires for hydrogen evolution reaction43Synthesis, structure and properties of Na[AsW2O9]11Enhancing the adsorption capacity of Sr 2+ and Cs + onto hexagonal tungsten oxide by doped niobium20Syntheses, structures, and characterizations of a new second-order nonlinear optical material: Pb2(SeO3)(NO3)232Topological Analysis of Void Spaces in Tungstate Frameworks: Assessing Storage Properties for the Environmentally Important Guest Molecules and Ions: CO2, UO2, PuO2, U, Pu, Sr2+, Cs+, CH4, and H23Electrocatalytic activity of Nb-doped hexagonal WO 3 nanowire-modified graphite felt as a positive electrode for vanadium redox flow batteries153Synthesis, structure and optical properties of two isotypic crystals, Na3MO4Cl (M=W, Mo)11Two Phosphates: Noncentrosymmetric Cs6Mg6(PO3)18 and Centrosymmetric Cs2MgZn2(P2O7)255Preparation and optical properties of hexa-tungsten bronze-type CsNbW 2 O 9 semiconductor4Syntheses, structures, anomalous phase transition and optical properties of two new polymorphic α- and β-LiMoPO 611An Electronically Driven Improper Ferroelectric: Tungsten Bronzes as Microstructural Analogs for the Hexagonal Manganites17Octahedral tilting in the polar hexagonal tungsten bronzes RbNbW2O9 and KNbW2O96[O 2 Pb 3 ] 2 (BO 3 )I: a new lead borate iodide with 1∞[O 2 Pb 3 ] double chains6Phase transitions in the hexagonal tungsten bronze RbNbW2O93Synthesis and sorption characteristics of tungsten oxides-based materials for Sr-90 removal from water media8Synthesis and Characterization of Ammonium Potassium Tellurium Polyoxomolybdate: (NH4)2K2TeMo6O22·2H2O with One-Dimensional Anionic Polymeric Chain [TeMo6O22]4−5Sr2Nb6O13F8·4H2O and Sr3Nb2O2F12·2H2O: A Variant of Three-Dimensional Tungsten Bronze and a Polar Molecular Oxide Fluoride17Improved intrinsic emission efficiency and photocatalysis of Nb2WO8 by Li+-doping6Structural Transformation and Second-Harmonic-Generation Activity in Rare-Earth and d0 Transition-Metal Oxysulfides RE3NbS3O4 (RE = Ce, Sm, Gd, Dy)38Recent advances in tellurite molybdate/tungstate crystals15Designing new polar materials1Growth and Characterization of a Nonlinear Optical Crystal Cd3Te2WO10 Decorated by WO4 Tetrahedra Showing a Large Band Gap9Novel structural transformation in K3ReP2S8 thiophosphates originating from the rare-earth (Re) cation sizes induced local coordination asymmetry25Research progress of synthesis of high-performance perovskites and its derivatives based on polyhedral distortion0Resolving old problems with layered polytungstates related to hexagonal tungsten bronze: phase formation, structures, crystal chemistry and some properties4Small Changes, Big Impact: Tungsten Bronzes with Extremely Large Second Harmonic Generation Achieved by the Transition Metal Doping on the B‐Site26Shooting mid-infrared nonlinear optical materials with targeted balance performances in ternary d0-transition metal oxides through first-principles14Quantifying structural distortion manipulation for desired perovskite phase: Part I. Paradigm demonstration in tungsten oxides10Influence of Cation-Size Effects of Alkaline Earth (Ae) Metals on Dimensionality and Optical Anisotropy Regulation in K4AeP2S8 Thiophosphates5Structural, optical, photocatalytic and thermal behaviour of (Nb, Ta) co-doped WO3 nanoparticles and its application in photocatalytic degradation of MG and RhB dyes13A HTO‐Type Nonlinear Optical Fluorophosphate with Ultrawide Bandgap16Rhenium Bronze Oxide Containing Tellurium Ions with Two Lone Pairs0(Ta, co) co-doped WO3 nanoparticles via hydrothermal route: Structural, optical, photocatalytic and thermal behaviour7Synthesis, Structure, and Luminescent Properties of a New Phosphor Y2GaTaO7: Sm3+0Structural Features and Magnetic Properties of Pyrochlore-Like Compound Y2Fe4/3W2/3O7 and Solid Solutions Y2Fe1+x/3Ta1–xW2x/3O70

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  1. Noncentrosymmetry in Mixed Metal Oxide-Fluorides, Can We Control It?

    MRS Proceedings · 2008-01-01

    Rachelle Ann F. Pinlac, Michael R. Marvel, Julien Lesage, Kenneth Reinhard Poeppelmeier

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  2. ChemInform Abstract: Polar Hexagonal Tungsten Bronze‐Type Oxides: KNbW2O9, RbNbW2O9, KTaW2O9.

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    Hong Chang, T. Sivakumar, Kang Min Ok, P. Shiv Halasyamani

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  3. New compounds and structures in the solid state

    Annual Reports Section A (Inorganic Chemistry) · 2009-01-01

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  4. Vibrational studies of hexagonal bronze systems: phonon calculation and high pressure induced phase transformation

    Journal of Raman Spectroscopy · 2009-04-01

    J. Santos Coelho, Waldeci Paraguassu, Mirosław Mączka, A. G. Souza Filho, Paulo Freire, J. Mendes Filho, J. Hanuza

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  5. Polar or Nonpolar? A+ Cation Polarity Control in A2Ti(IO3)6(A = Li, Na, K, Rb, Cs, Tl)

    Journal of the American Chemical Society · 2009-04-22

    Hong‐Young Chang, Sang‐Hwan Kim, Kang Min Ok, P. Shiv Halasyamani

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  6. Ball milling-induced pyrochlore-to-tungsten bronze phase transition in RbNbWO6

    Journal of materials research/Pratt's guide to venture capital sources · 2009-05-26

    J. E. Zorzi, C.L.G. Amorim, Raquel Milani, Carlos Alejandro Figueroa, J. A. H. da Jornada, C. A. Perottoni

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  7. A Series of New Infrared NLO Semiconductors, ZnY6Si2S14, AlxDy3(SiyAl1−y)S7, and Al0.33Sm3SiS7

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    Sheng‐Ping Guo, Guo‐Cong Guo, Ming‐Sheng Wang, Jian‐Ping Zou, Gang Xu, Guojian Wang, Xifa Long, Jin‐Shun Huang

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  8. New Noncentrosymmetric Material - [N(CH3)4]ZnCl3: Polar Chains of Aligned ZnCl4 Tetrahedra

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  9. Polar Hexagonal Tungsten Oxide (HTO) Materials: (1) Synthesis, Characterization, Functional Properties, and Structure−Property Relationships in A2(MoO3)3(SeO3) (A = Rb+ and Tl+) and (2) Classification, Structural Distortions, and Second-Harmonic Generating Properties of Known Polar HTOs

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  10. First‐Principles Studies on Novel Polar Oxide ZnSnO3; Pressure‐Induced Phase Transition and Electric Properties

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  11. Continuous Symmetry Measures of Density Maps

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  12. Noncentrosymmetric Inorganic Oxide Materials: Synthetic Strategies and Characterisation Techniques

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  13. Interrelationship of Micro- and Macrostructure with Nonlinear Optical Properties of Simple and Binary Acentric Niobate Crystals

    Ferroelectrics · 2010-06-21

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  14. Vibrational properties of Cs4W11O35 and Rb4W11O35 systems: high pressure and polarized Raman spectra

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  15. A3V5O14 (A = K+, Rb+, or Tl+), New Polar Oxides with a Tetragonal Tungsten Bronze Related Structural Topology: Synthesis, Structure, and Functional Properties

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  16. Chemistry-Controlled Structural Relaxation and Enhanced Redox Abilities in Vanadium-Doped Two-Dimensional Semiconductive TeMo5O16 Catalyst

    The Journal of Physical Chemistry C · 2010-07-14

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  17. Top-Seeded Solution Crystal Growth and Functional Properties of a Polar Material—Na2TeW2O9

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  18. Non-Centrosymmetric Tetrameric Assemblies of Tetramethylammonium Halides with Uranyl Salophen Complexes in the Solid State

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  19. Synthesis, Characterization, and Structure–Property Relationships in Two New Polar Oxides: Zn2(MoO4)(SeO3) and Zn2(MoO4)(TeO3)

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  20. Anisotropic Thermal Properties of the Nonlinear Optical and Polar Oxide Material Na2TeW2O9

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  21. BiO(IO3): A New Polar Iodate that Exhibits an Aurivillius-Type (Bi2O2)2+ Layer and a Large SHG Response

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  22. Polymorphism of BaTeMo 2 O 9 : A New Polar Polymorph and the Phase Transformation

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  23. New Vanadium Selenites: Centrosymmetric Ca2(VO2)2(SeO3)3(H2O)2, Sr2(VO2)2(SeO3)3, and Ba(V2O5)(SeO3), and Noncentrosymmetric and Polar A4(VO2)2(SeO3)4(Se2O5) (A = Sr2+ or Pb2+)

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  24. Anisotropic thermal properties of the polar crystal Cs2TeMo3O12

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  25. Pressure-induced structural phase transitions and amorphization in selected molybdates and tungstates

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  26. Two New Noncentrosymmetric (NCS) Polar Oxides: Syntheses, Characterization, and Structure–Property Relationships in BaMTe2O7 (M = Mg2+ or Zn2+)

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  27. Deriving the magnitude of niobium off-center displacement in ferroelectric niobates from infrared spectroscopy

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  28. Integration of first-principles methods and crystallographic database searches for new ferroelectrics: Strategies and explorations

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  29. Synthesis, Structure, and Characterization of New Li+ – d0 –Lone-Pair – Oxides: Noncentrosymmetric Polar Li6(Mo2O5)3(SeO3)6 and Centrosymmetric Li2(MO3)(TeO3) (M = Mo6+ or W6+)

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  30. Temperature-dependent Raman scattering study on Cs4W11O35 and Rb4W11O35 systems

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  31. Chemistry of Polar Transition-Metal Oxides

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  32. Interrelationship “Structure-Property” for the Crystals of Noncentrosymmetric Tungstates

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  33. New Fluoride Carbonates: Centrosymmetric KPb2(CO3)2F and Noncentrosymmetric K2.70Pb5.15(CO3)5F3

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  34. Computational study on the molecular structures and photoelectron spectra of bimetallic oxide clusters (M=V, Nb, Ta)

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  35. Synthesis and ferroelectric properties of platinum(II) complexes with chiral isoxazoline ligand

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  36. Metal Chalcogenides: A Rich Source of Nonlinear Optical Materials

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  37. Strontium adsorption on tantalum-doped hexagonal tungsten oxide

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  38. Synthesis and characterization of ASnF3 (A=Na+, K+, Rb+, Cs+)

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  39. Incorporation of tantalum ions enhances the electrocatalytic activity of hexagonal WO3 nanowires for hydrogen evolution reaction

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  40. Synthesis, structure and properties of Na[AsW2O9]

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  41. Enhancing the adsorption capacity of Sr 2+ and Cs + onto hexagonal tungsten oxide by doped niobium

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  42. Syntheses, structures, and characterizations of a new second-order nonlinear optical material: Pb2(SeO3)(NO3)2

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  43. Topological Analysis of Void Spaces in Tungstate Frameworks: Assessing Storage Properties for the Environmentally Important Guest Molecules and Ions: CO2, UO2, PuO2, U, Pu, Sr2+, Cs+, CH4, and H2

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  44. Electrocatalytic activity of Nb-doped hexagonal WO 3 nanowire-modified graphite felt as a positive electrode for vanadium redox flow batteries

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  45. Synthesis, structure and optical properties of two isotypic crystals, Na3MO4Cl (M=W, Mo)

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  46. Two Phosphates: Noncentrosymmetric Cs6Mg6(PO3)18 and Centrosymmetric Cs2MgZn2(P2O7)2

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  47. Preparation and optical properties of hexa-tungsten bronze-type CsNbW 2 O 9 semiconductor

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  48. Syntheses, structures, anomalous phase transition and optical properties of two new polymorphic α- and β-LiMoPO 6

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  49. An Electronically Driven Improper Ferroelectric: Tungsten Bronzes as Microstructural Analogs for the Hexagonal Manganites

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  50. Octahedral tilting in the polar hexagonal tungsten bronzes RbNbW2O9 and KNbW2O9

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