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RESEARCH PAPER · Inorganic Chemistry · 2002

Out-of-Center Distortions in d0 Transition Metal Oxide Fluoride Anions

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Out-of-Center Distortions in d0 Transition Metal Oxide Fluoride AnionsOriginalAlignment of acentric MoO3F33− anions in a polar material: (Ag3MoO3F3)(Ag3MoO4)Cl440Synthesis, Structure, and Characterization of Two New Layered Mixed-Metal Phosphates, BaTeMO4(PO4) (M = Nb5+ or Ta5+)87Asymmetric Cationic Coordination Environments in New Oxide Materials: Synthesis and Characterization of Pb4Te6M10O41 (M = Nb5+ or Ta5+)71The Lone‐Pair Cation I5+ in a Hexagonal Tungsten Oxide‐Like Framework: Synthesis, Structure, and Second‐Harmonic Generating Properties of Cs2I4O11182The Lone‐Pair Cation I5+ in a Hexagonal Tungsten Oxide‐Like Framework: Synthesis, Structure, and Second‐Harmonic Generating Properties of Cs2I4O1134New d0 Transition Metal Iodates: Synthesis, Structure, and Characterization of BaTi(IO3)6, LaTiO(IO3)5, Ba2VO2(IO3)4·(IO3), K2MoO2(IO3)4, and BaMoO2(IO3)4·H2O64Mixed-Metal Tellurites: Synthesis, Structure, and Characterization of Na1.4Nb3Te4.9O18 and NaNb3Te4O16126Diaquabis(1,10-phenanthroline-κ2N,N′)cadmium(II) pentafluorooxoniobate(V)2New Metal Iodates: Syntheses, Structures, and Characterizations of Noncentrosymmetric La(IO3)3 and NaYI4O12 and Centrosymmetric β-Cs2I4O11 and Rb2I6O15(OH)2·H2O125Bulk characterization methods for non-centrosymmetric materials: second-harmonic generation, piezoelectricity, pyroelectricity, and ferroelectricity931BiInO3: A Polar Oxide with GdFeO3-Type Perovskite Structure89Na2Te3Mo3O16: A New Molybdenum Tellurite with Second-Harmonic Generating and Pyroelectric Properties232Diaquabis(1,10-phenanthroline-κ2 N,N′)manganese(II) pentafluorooxoniobate(V)2Cluster chemistry in the solid state: Structured diffuse scattering, oxide/fluoride ordering and polar behaviour in transition metal oxyfluorides35Directed Synthesis of Noncentrosymmetric Molybdates Using Composition Space Analysis72Synthesis, structure and characterization of a new inorganic-organic hybrid complex (C3H5N2)2[Cd(C3H4N2)2Nb2O3F8]·2H2O1Dynamic disorder in ammonium oxofluorotungstates (NH4)2WO2F4 and (NH4)3WO3F319Two Organically Templated Niobium and Zinconiobium Fluorophosphates: Low Temperature Hydrothermal Syntheses of NbOF(PO4)2(C2H10N2)2 and Zn3(NbOF)(PO4)4(C2H10N2)217Effects of Reaction Gel Dehydration on the Synthesis of Cu(NC5H5)4VOF4 and [Cu(NC5H5)4VOF4][Cu(NC5H5)4(H2O)VOF4]·H2O18Synthesis, Structure, Characterization, and Calculations of Two New Sn2+−W6+−oxides, Sn2WO5 and Sn3WO619Two New Noncentrosymmetric Polar Oxides: Synthesis, Characterization, Second-Harmonic Generating, and Pyroelectric Measurements on TlSeVO5 and TlTeVO5115Bulk Growth and Characterization of a Novel Nonlinear Optical Crystal BaTeMo2O9125Noncentrosymmetry in Mixed Metal Oxide-Fluorides, Can We Control It?0Crown-templated assembling of the inorganic binuclear fluoro-containing anions in the system ZrO2/HfO2 (Nb2O5/Ta2O5)–HF–H2O-azacrown ether16Disordering of the [NbOF5]2−complex anions in bis(glycinium) pentafluoridooxidoniobate(V) and bis(β-alaninium) pentafluoridooxidoniobate(V) dihydrate11Disorder in crystals of dioxofluorotungstates, (NH4)2WO2F4 and Rb2WO2F429A New Organically Templated Noncentrosymmetric Bismuth Chloride: Synthesis, Structure, and Characterization of [N(CH3)2H2][(CH3)2NH(CH2)2NH(CH3)2][BiCl6]7Elastic, dielectric, and piezoelectric properties of BaTeMo2O9 single crystal62Chemical Hardness and the Adaptive Coordination Behavior of the d0 Transition Metal Oxide Fluoride Anions46Molecular structure and DFT study of hydrothermally synthesized niobium oxide fluoride5Structure and Thermal Properties of the Nonlinear Optical Crystal BaTeMo2O965Polar or Nonpolar? A+ Cation Polarity Control in A2Ti(IO3)6(A = Li, Na, K, Rb, Cs, Tl)307New Noncentrosymmetric Material - [N(CH3)4]ZnCl3: Polar Chains of Aligned ZnCl4 Tetrahedra63Microporosity, Optical Bandgap Sizes, and Photocatalytic Activity of M(I)-Nb(V) (M = Cu, Ag) Oxyfluoride Hybrids34Noncentrosymmetric Inorganic Oxide Materials: Synthetic Strategies and Characterisation Techniques8Hydrothermal syntheses, crystal structures and characterizations of two new metal-fluorides based on niobium and tantalum19New Noncentrosymmetric Tellurite Phosphate Material: Synthesis, Characterization, and Calculations of Te2O(PO4)295A3V5O14 (A = K+, Rb+, or Tl+), New Polar Oxides with a Tetragonal Tungsten Bronze Related Structural Topology: Synthesis, Structure, and Functional Properties76Cd1−xBix(Cd1+xIn1−x)VO6 (0 ≤ x ≤ 0.14): A New Polar Oxide with Second-Harmonic Generation22A Slow Leak Synthetic Route to Organically Templated Gallium Sulfates8Crystal structures of MnNbOF5 · 4H2O at 153 and 297 K4New Quaternary Tellurite and Selenite: Synthesis, Structure, and Characterization of Centrosymmetric InVTe2O8 and Noncentrosymmetric InVSe2O887Synthesis, structure, ion-exchange and fluorescence of a novel two-dimensional niobium fluorophosphate with 4.8-net layer6Hydrothermal synthesis, crystal structure and property of a barbell-like copper complex with {(μ-F)[(μ-O)2(NbF4)2]} as the handle bar4Mixed metalII–metalIV hybrid fluorides11Understanding an Order–Disorder Phase Transition in Ionothermally Synthesized Gallium Phosphates9Synthesis, 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 Na2TeW2O931Synthesis, Structure, and Theoretical Investigations of an Alkaline Earth Vanadate Oxide Compound (Ca4V4O14): Electronic, Optical, and Chemical Bond Properties13BiO(IO3): A New Polar Iodate that Exhibits an Aurivillius-Type (Bi2O2)2+ Layer and a Large SHG Response507Centrosymmetric [N(CH3)4]2TiF6 vs. noncentrosymmetric polar [C(NH2)3]2TiF6: A hydrogen-bonding effect on the out-of-center distortion of TiF6 octahedra31New 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+)50PbMSeO6 (M = Mo and W): New quaternary mixed metal selenites with asymmetric cationic coordination environments37Second-harmonic generating properties of polar noncentrosymmetric aluminoborate solid solutions, Al5−xGaxBO9 (0.0 ≤x≤ 0.5)12ZnIO3(OH): a new layered noncentrosymmetric polar iodate – hydrothermal synthesis, crystal structure, and second-harmonic generating (SHG) properties36Two New Noncentrosymmetric (NCS) Polar Oxides: Syntheses, Characterization, and Structure–Property Relationships in BaMTe2O7 (M = Mg2+ or Zn2+)50The Role of Polar, Lamdba (Λ)-Shaped Building Units in Noncentrosymmetric Inorganic Structures139Small non-polar complexes exhibiting significant piezoelectric properties: Solvothermal synthesis and crystal structures of MO5V(tren)·H2O (M=Mo and W; tren=tris(2-aminoethyl)amine)7Octahedral Rotation‐Induced Ferroelectricity in Cation Ordered Perovskites3455,6-Dihydro-1,10-phenanthroline-1,10-diium μ-oxido-bis[pentafluoridotantalate(V)]3Influence of the Cation Size on the Framework Structures and Space Group Centricities in AMo2O5(SeO3)2 (A = Sr, Pb, and Ba)93The Dimeric [V2O4F6]4– Vanadium Oxide‐Fluoride Anion in Na2(M(H2O)2)(V2O4F6) (M = Co2+, Ni2+, and Cu2+)8Effect of the Framework Flexibility on the Centricities in Centrosymmetric In2Zn(SeO3)4 and Noncentrosymmetric Ga2Zn(TeO3)450Synthesis, 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+)47Polymorphism of KNaNbOF5 crystals10Structure–Property Relationships in Solid Solutions of Noncentrosymmetric Aurivillius Phases, Bi4–xLaxTi3O12 (x = 0–0.75)33Preservation of Chirality and Polarity between Chiral and Polar Building Units in the Solid State21From Racemic Units to Polar Materials23Chemistry of Polar Transition-Metal Oxides1Steric-Induced Layer Flection in Templated Vanadium Tellurites11Ba2YFeO5.5: A Ferromagnetic Pyroelectric Phase Prepared by Topochemical Oxidation.17New Alkali-Metal Gallium Selenites, AGa(SeO3)2 (A = Li, Na, K, and Cs): Effect of Cation Size on the Framework Structures and Macroscopic Centricities76Bonding and Structure of Oxofluoroniobate-Based Glasses7Self-assembly, geometric and electronic structures, and structure-directing properties of organic–inorganic hybrid salt containing [WO2F4]2− anions and protonated 2-(2-hydroxyphenyl)benzimidazole cations0catena-Poly[bis(μ-2,2′-bipyridin-6-olato)-κ3N,N′:O;O:N,N′-dicopper(I,II) [[tetrafluoridoniobium(V)]-μ-oxido]]3Unprecedented Trapping of Difluorooctamolybdate Anions within an α-Polonium Type Coordination Network13Nonlinear Active Materials: An Illustration of Controllable Phase Matchability113Alignment of Acentric Units in Infinite Chains: A “Lock and Key” Model16From Solution to the Solid State: Control of Niobium Oxide–Fluoride [NbO x F y ] n − Species26Polar Alignment of Λ-Shaped Basic Building Units within Transition Metal Oxide Fluoride Materials15How Lewis Acidity of the Cationic Framework Affects KNaNbOF5 Polymorphism19Syntheses of Two Vanadium Oxide–Fluoride Materials That Differ in Phase Matchability46[V12O30F4(H2O)2]4−: One-pot synthesis and characterization of a novel fluorinated dodecavanadate9Effect of Halogen (Cl, Br) on the Symmetry of Flexible Perovskite-Related Framework37Designing the syntheses and photophysical simulations of noncentrosymmetric compounds17Macroscopic polarity control with alkali metal cation size and coordination environment in a series of tin iodates82On the Origin of the Differences in Structure Directing Properties of Polar Metal Oxyfluoride [MOxF6–x]2– (x = 1, 2) Building Units55New quaternary oxides with both families of second-order Jahn–Teller (SOJT) distortive cations: Solid-state synthesis, structure determination, and characterization of YNbTe2O8 and YNbSe2O813Hydroxylammonium Tetrafluoridooxidovanadate(V) – (NH3OH)[VOF4]4Co 3 (OH) 2 (HPO 4 ) 2 as a novel photocatalyst for O 2 evolution under visible-light irradiation36Three iodocuprate hybrids symmetrically modulated by positional isomers and the chiral conformation of N-benzyl-methylpyridinium36Temperature-Independent, Large Dielectric Constant Induced by Vacancy and Partial Anion Order in the Oxyfluoride Pyrochlore Pb2Ti2O6−δF2δ42Cd3(MoO4)(TeO3)2: A Polar 3D Compound Containing d10–d0 SCALP-Effect Cations85Toward the Rational Design of Novel Noncentrosymmetric Materials: Factors Influencing the Framework Structures601A highly-distorted octahedron with a C 2v group symmetry inducing an ultra-intense zero phonon line in Mn 4+ -activated oxyfluoride Na 2 WO 2 F 4141Bi4TaO8Cl Nano-Photocatalyst: Influence of Local, Average, and Band Structure51A(VO 2 F)(SeO 3 ) (A = Sr, Ba) and Ba(MOF 2 )(TeO 4 ) (M = Mo, W): first examples of alkali-earth selenites/tellurites with a fluorinated d 0 -TM octahedron33Structural Diversity from Anion Order in Heteroanionic Materials53Assisting the Effective Design of Polar Iodates with Early Transition-Metal Oxide Fluoride Anions207Making an order: the concerted alignment of [MOF5]2− (M = Nb and Ta) dipolar anions in one-dimensional coordination chains sustained by tris(3,4,5-trimethyl-1H-pyrazole)copper(II)2Heteroanionic Materials by Design: Progress Toward Targeted Properties236Synthesis, crystal structure, and properties of new compounds [NH4]4[SbF4]2[NbOF5], K4[SbF4]2[NbOF5], and [NH4]4[SbF4]2[SnF6]5Novel inorganic materials generated by aliovalent anion substitution6Predicting the Structure Stability of Layered Heteroanionic Materials Exhibiting Anion Order16Designing excellent mid-infrared nonlinear optical materials with fluorooxo-functional group of d0 transition metal oxyfluorides63Influence of structure-directing polyhedra and heterocyclic ligands on the chain structures and O/F ordering in a series of zinc vanadium oxyfluorides1Structural Diversity of Molybdate Iodate and Fluoromolybdate: Syntheses, Structures, and Calculations on Na3(MoO4)(IO3) and Na3Cs(MoO2F4)218Machine-Learning-Assisted Synthesis of Polar Racemates33Crystal structure and Hirshfeld surface analysis of 4,4′-(propane-1,3-diyl)bis(4H-1,2,4-triazol-1-ium) pentafluoridooxidovanadate(V)4Bond-length distributions for ions bonded to oxygen: results for the transition metals and quantification of the factors underlying bond-length variation in inorganic solids127An Effective Strategy for Designing Nonlinear Optical Crystals by Combining the Structure‐Directing Property of Oxyfluorides with Chemical Substitution73An Effective Strategy for Designing Nonlinear Optical Crystals by Combining the Structure‐Directing Property of Oxyfluorides with Chemical Substitution10Strong Hydrogen Bond in the Crystal Structure Design of CuNbOF 5·4H 2O0ACuZrQ 3 (A = Rb, Cs; Q = S, Se, Te): Direct Bandgap Semiconductors and Metals with Ultralow Thermal Conductivity29Strong hydrogen bond in the crystal structure design of CuNbOF5·4H2O3Designing a Strong Second-Harmonic Generation Polar Iodate by the Structure-Directing Properties of the “Tumbler-like” [Zn(IO3)(I2O5(OH))] Polyanions20Beyond π–π Stacking: Understanding Inversion Symmetry Breaking in Crystalline Racemates27Targeting Oxide Concentration in Tantalum Oxide-Fluoride Anions0Structural modeling of oxygen-fluorine ordering in transition metal inorganic oxyfluorides0Different magnitudes of second-order Jahn-Teller effect in isostructural NaMO2F2 (M = Nb, Ta) oxyfluorides4Different p-block elements induce C 3 [111] octahedral distortion in titanium to generate an intense nonlinear effect14Syntheses, crystal structures, and electronic structures of new barium fluoromolybdates1Chemical Control of Symmetry and Bandgap in Tungsten Oxyhalide van der Waals Semiconductors3Ba 3 (MoO 2 F 3 )PO 4 F 2 : Rational Design and Synthesis of an Alkaline-Earth Phosphate Fluoride as a Birefringent Crystal1

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  1. Alignment of acentric MoO3F33− anions in a polar material: (Ag3MoO3F3)(Ag3MoO4)Cl

    Journal of Solid State Chemistry · 2003-05-19

    Paul A. Maggard, Tiffany S Nault, Charlotte L. Stern, Kenneth Reinhard Poeppelmeier

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  2. Synthesis, Structure, and Characterization of Two New Layered Mixed-Metal Phosphates, BaTeMO4(PO4) (M = Nb5+ or Ta5+)

    Inorganic Chemistry · 2003-12-31

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  3. Asymmetric Cationic Coordination Environments in New Oxide Materials: Synthesis and Characterization of Pb4Te6M10O41 (M = Nb5+ or Ta5+)

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  4. The Lone‐Pair Cation I5+ in a Hexagonal Tungsten Oxide‐Like Framework: Synthesis, Structure, and Second‐Harmonic Generating Properties of Cs2I4O11

    Angewandte Chemie International Edition · 2004-10-13

    Kang Min Ok, P. Shiv Halasyamani

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  5. The Lone‐Pair Cation I5+ in a Hexagonal Tungsten Oxide‐Like Framework: Synthesis, Structure, and Second‐Harmonic Generating Properties of Cs2I4O11

    Angewandte Chemie · 2004-10-13

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  6. New d0 Transition Metal Iodates: Synthesis, Structure, and Characterization of BaTi(IO3)6, LaTiO(IO3)5, Ba2VO2(IO3)4·(IO3), K2MoO2(IO3)4, and BaMoO2(IO3)4·H2O

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  7. Mixed-Metal Tellurites: Synthesis, Structure, and Characterization of Na1.4Nb3Te4.9O18 and NaNb3Te4O16

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  8. Diaquabis(1,10-phenanthroline-κ2N,N′)cadmium(II) pentafluorooxoniobate(V)

    Acta Crystallographica Section E Structure Reports Online · 2005-09-28

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  9. New Metal Iodates: Syntheses, Structures, and Characterizations of Noncentrosymmetric La(IO3)3 and NaYI4O12 and Centrosymmetric β-Cs2I4O11 and Rb2I6O15(OH)2·H2O

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  10. Bulk characterization methods for non-centrosymmetric materials: second-harmonic generation, piezoelectricity, pyroelectricity, and ferroelectricity

    Chemical Society Reviews · 2006-01-01

    Kang Min Ok, Eun Ok Chi, P. Shiv Halasyamani

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  11. BiInO3: A Polar Oxide with GdFeO3-Type Perovskite Structure

    Chemistry of Materials · 2006-03-01

    Alexei А. Belik, Sergey Yu. Stefanovich, Bogdan I. Lazoryak, Eiji Takayama‐Muromachi

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  12. Na2Te3Mo3O16: A New Molybdenum Tellurite with Second-Harmonic Generating and Pyroelectric Properties

    Chemistry of Materials · 2006-03-28

    Eun Ok Chi, Kang Min Ok, Yetta Porter, P. Shiv Halasyamani

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  13. Diaquabis(1,10-phenanthroline-κ2 N,N′)manganese(II) pentafluorooxoniobate(V)

    Acta Crystallographica Section E Structure Reports Online · 2006-04-11

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  14. Cluster chemistry in the solid state: Structured diffuse scattering, oxide/fluoride ordering and polar behaviour in transition metal oxyfluorides

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  15. Directed Synthesis of Noncentrosymmetric Molybdates Using Composition Space Analysis

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  16. Synthesis, structure and characterization of a new inorganic-organic hybrid complex (C3H5N2)2[Cd(C3H4N2)2Nb2O3F8]·2H2O

    Journal of Chemical Crystallography · 2006-06-26

    Gang Zhu, Xingling Xu, Zong‐Xun Tang

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  17. Dynamic disorder in ammonium oxofluorotungstates (NH4)2WO2F4 and (NH4)3WO3F3

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  18. Two Organically Templated Niobium and Zinconiobium Fluorophosphates: Low Temperature Hydrothermal Syntheses of NbOF(PO4)2(C2H10N2)2 and Zn3(NbOF)(PO4)4(C2H10N2)2

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  19. Effects of Reaction Gel Dehydration on the Synthesis of Cu(NC5H5)4VOF4 and [Cu(NC5H5)4VOF4][Cu(NC5H5)4(H2O)VOF4]·H2O

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  20. Synthesis, Structure, Characterization, and Calculations of Two New Sn2+−W6+−oxides, Sn2WO5 and Sn3WO6

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  21. Two New Noncentrosymmetric Polar Oxides: Synthesis, Characterization, Second-Harmonic Generating, and Pyroelectric Measurements on TlSeVO5 and TlTeVO5

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  22. Bulk Growth and Characterization of a Novel Nonlinear Optical Crystal BaTeMo2O9

    Crystal Growth & Design · 2007-12-07

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

    MRS Proceedings · 2008-01-01

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  24. Crown-templated assembling of the inorganic binuclear fluoro-containing anions in the system ZrO2/HfO2 (Nb2O5/Ta2O5)–HF–H2O-azacrown ether

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  25. Disordering of the [NbOF5]2−complex anions in bis(glycinium) pentafluoridooxidoniobate(V) and bis(β-alaninium) pentafluoridooxidoniobate(V) dihydrate

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  26. Disorder in crystals of dioxofluorotungstates, (NH4)2WO2F4 and Rb2WO2F4

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  27. A New Organically Templated Noncentrosymmetric Bismuth Chloride: Synthesis, Structure, and Characterization of [N(CH3)2H2][(CH3)2NH(CH2)2NH(CH3)2][BiCl6]

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  28. Elastic, dielectric, and piezoelectric properties of BaTeMo2O9 single crystal

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  29. Chemical Hardness and the Adaptive Coordination Behavior of the d0 Transition Metal Oxide Fluoride Anions

    Zeitschrift für anorganische und allgemeine Chemie · 2009-04-08

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  30. Molecular structure and DFT study of hydrothermally synthesized niobium oxide fluoride

    Journal of Molecular Structure · 2009-04-09

    Zhifeng Zhao, Baibin Zhou, Zhanhua Su, Jingxiang Zhao, Zhonghua Li

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  31. Structure and Thermal Properties of the Nonlinear Optical Crystal BaTeMo2O9

    Crystal Growth & Design · 2009-04-09

    Weiguo Zhang, Xutang Tao, Chengqian Zhang, Huaijin Zhang, Minhua Jiang

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  32. 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

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

    Inorganic Chemistry · 2009-08-05

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  34. Microporosity, Optical Bandgap Sizes, and Photocatalytic Activity of M(I)-Nb(V) (M = Cu, Ag) Oxyfluoride Hybrids

    Crystal Growth & Design · 2010-01-08

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

    Unknown journal · 2010-06-11

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  36. Hydrothermal syntheses, crystal structures and characterizations of two new metal-fluorides based on niobium and tantalum

    Inorganic Chemistry Communications · 2010-06-18

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  37. New Noncentrosymmetric Tellurite Phosphate Material: Synthesis, Characterization, and Calculations of Te2O(PO4)2

    Inorganic Chemistry · 2010-06-29

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

    Inorganic Chemistry · 2010-07-07

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  39. Cd1−xBix(Cd1+xIn1−x)VO6 (0 ≤ x ≤ 0.14): A New Polar Oxide with Second-Harmonic Generation

    Chemistry of Materials · 2010-07-27

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  40. A Slow Leak Synthetic Route to Organically Templated Gallium Sulfates

    Crystal Growth & Design · 2010-09-08

    Elizabeth A. Kaufman, Mat­thias Zeller, Alexander J. Norquist

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  41. Crystal structures of MnNbOF5 · 4H2O at 153 and 297 K

    Russian Journal of Inorganic Chemistry · 2010-12-01

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