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RESEARCH PAPER · Chemistry of Materials · 2018

Monofluorophosphates: A New Source of Deep-Ultraviolet Nonlinear Optical Materials

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Monofluorophosphates: A New Source of Deep-Ultraviolet Nonlinear Optical MaterialsOriginalMonofluorophosphates: A new candidate of deep-ultraviolet nonlinear optical materials0A 2 SrM IV S 4 (A = Li, Na; M IV = Ge, Sn) concurrently exhibiting wide bandgaps and good nonlinear optical responses as new potential infrared nonlinear optical materials78Exploration of the deep-ultraviolet nonlinear optical materials in the derivatives of KBe2BO3F27From centrosymmetric to noncentrosymmetric: cation-directed structural evolution in X 3 ZnB 5 O 10 (X = Na, K, Rb) and Cs 12 Zn 4 (B 5 O 10 ) 4 crystals26Modulation of perovskite-related frameworks induced by alkaline earth metals in phosphate fluorides A 2 MPO 4 F (A = K, Rb; M = Ba, Ca)8Three new phosphates, Cs8Pb4(P2O7)4, CsLi7(P2O7)2 and LiCa(PO3)3: structural comparison, characterization and theoretical calculation23Uniform Alignment of Non-π-Conjugated Species Enhances Deep Ultraviolet Optical Nonlinearity369Variable Chains Found in Mixed Transition Metal Oxyfluorides with Heterocyclic Ligands9KNa 4 B 2 P 3 O 13 : A Deep-Ultraviolet Transparent Borophosphate Exhibiting Second-Harmonic Generation Response26Centrosymmetric Rb2Mg3(SO4)4 and non-centrosymmetric Cs2Mg3(SO4)4 with a phase-matching nonlinear optical response35Facile Growth of an Ultraviolet Hydroisocyanurate Crystal with Strong Nonlinearity and a Wide Phase-Matching Region from π-Conjugated (HC3N3O3)2– Groups45Nontoxic KBBF Family Member Zn2BO3(OH): Balance between Beneficial Layered Structure and Layer Tendency81An Uncommon Hypervalent Fluorooxosilicophosphate5CsAlB 3 O 6 F: a beryllium-free deep-ultraviolet nonlinear optical material with enhanced thermal stability153An Effective and Facile Method To Prepare Monofluorophosphates Overcoming the Common Difficulty of Loss of Fluorine and Serious Corrosion: 12 Examples and Their Characterizations and Properties11A new family of quaternary thiosilicates SrA 2 SiS 4 (A = Li, Na, Cu) as promising infrared nonlinear optical crystals48Emergent Deep‐Ultraviolet Nonlinear Optical Candidates324Neue Kandidaten für die nichtlineare Optik im Tief‐UV‐Bereich43“Old dog, new tricks”: the lone pair effect inducing divergent optical responses in lead cyanurates containing π-bonds18Hexagonal tungsten oxides with large bandgaps synthesized by a chemical substitution method31K 4 (PO 2 F 2 ) 2 (S 2 O 7 ): first fluorooxophosphorsulfate with mixed-anion [S 2 O 7 ] 2− and [PO 2 F 2 ] − groups14Study on the Solid-State Nonlinear Optical Switch with the Widest Tunable Temperature Range0The functionality of tetrahedral units in fluoroxoiodates: fluorine-modulating effects in iodates with lone pair electrons3Two new ammonium/alkali-rare earth metal difluorophosphates ALa(PO 2 F 2 ) 4 (A = NH 4 and K) with moderate birefringence and short cutoff edges26Effects of P2O7 clusters arrangement on second harmonic generation responses of pyrophosphates14Synthesis, Crystal Structure, and Characterization of a Noncentrosymmetric Sulfate Cs2Ca2(SO4)320Lead Mixed Oxyhalides Satisfying All Fundamental Requirements for High‐Performance Mid‐Infrared Nonlinear Optical Materials164Lead Mixed Oxyhalides Satisfying All Fundamental Requirements for High‐Performance Mid‐Infrared Nonlinear Optical Materials55Solid-State Nonlinear Optical Switch with the Widest Switching Temperature Range Owing to Its Continuously Tunable Tc91Synthesis, characterizations and theoretical analysis of a noncentrosymmetric sulfate8Designing a Deep-UV Nonlinear Optical Fluorooxosilicophosphate127K2Na(IO3)2(I3O8) with Strong Second Harmonic Generation Response Activated by Two Types of Isolated Iodate Anions46BiGa(SeO3)3: A Phase Matchable SHG Material Achieved by Cation Substitution19New Alkaline-Earth Metal Fluoroiodates Exhibiting Large Birefringence and Short Ultraviolet Cutoff Edge with Highly Polarizable (IO 3 F) 2– Units63Rational Design of the Metal‐Free KBe 2 BO 3 F 2 ⋅(KBBF) Family Member C(NH 2 ) 3 SO 3 F with Ultraviolet Optical Nonlinearity201Rational Design of the Metal‐Free KBe2BO3F2⋅(KBBF) Family Member C(NH2)3SO3F with Ultraviolet Optical Nonlinearity31Cyclophosphate MBi(P4O12) (M = Cs, Rb): Structure Change Giving Rise to Property Enhancement10K 2 Sb(P 2 O 7 )F: Cairo Pentagonal Layer with Bifunctional Genes Reveal Optical Performance297K2Sb(P2O7)F: Cairo Pentagonal Layer with Bifunctional Genes Reveal Optical Performance38A2BBi2(PO4)2(P2O7) (A = K, Rb, B = Pb, Cd): the Effect of Cation Sizes on Structural Evolution10A 3 BBi(P 2 O 7 ) 2 (A = Rb, Cs; B = Pb, Ba): Isovalent Cation Substitution to Sustain Large Second-Harmonic Generation Responses106Two Mixed-Anion Units of [GeOSe3] and [GeO3S] Originating from Partial Isovalent Anion Substitution and Inducing Moderate Second Harmonic Generation Response and Large Birefringence55From silicates to oxonitridosilicates: improving optical anisotropy for phase-matching as ultraviolet nonlinear optical materials47Borates: A Rich Source for Optical Materials1089Nonlinear Optical Oxythiophosphate Approaching the Good Balance with Wide Ultraviolet Transparency, Strong Second Harmonic Effect, and Large Birefringence92Nonlinear Optical Oxythiophosphate Approaching the Good Balance with Wide Ultraviolet Transparency, Strong Second Harmonic Effect, and Large Birefringence13Hydrogen-Bond-Assisted Alignment of [MCu(SeO 3 ) 4 Cl(H 2 O)] 4– (M = Fe, Ga) Anionic Layers to Form Two Polar Oxychlorides: Pb 2 MCu(SeO 3 ) 4 Cl(H 2 O)10Computationally assisted multistage design and prediction driving the discovery of deep-ultraviolet nonlinear optical materials41From centrosymmetric to noncentrosymmetric: effect of the cation on the crystal structures and birefringence values of (NH 4 ) n−2 AE(PO 2 F 2 ) n (AE = Mg, Sr and Ba; n = 2, 3 and 4)9From thiophosphate to chalcohalide: mixed-anion AgS x Cl y ligands concurrently enhancing nonlinear optical effects and laser-damage threshold10M 6 PS 5 X (M = Ag, Cu; X = Cl, Br) chalcohalides exhibiting strong nonlinear optical responses and high laser damage resistances9Na 1.5 Rb 0.5 PO 3 F·H 2 O: synthesis, properties, and stepwise reconstruction of the hydrogen bond network13Na 4 SnS 4 and Na 4 SnSe 4 exhibiting multifunctional physicochemical performances as potential infrared nonlinear optical crystals and sodium ion conductors27Pb 2 TiFO(SeO 3 ) 2 Br: a new polar compound with the strongest second harmonic generation in the selenite bromide family29Recent advances of oxyfluorides for nonlinear optical applications69Monofluorophosphates—New Examples and a Survey of the PO3F2− Anion6Ba3Sb2(PO4)4 and Cd3Sb2(PO4)4(H2O)2: Two New Antimonous Phosphates with Distinct [Sb(PO4)2] Structure Types and Enhanced Birefringence37M(NH 2 SO 3 ) 2 (M=Sr, Ba): Two Deep‐Ultraviolet Transparent Sulfamates Exhibiting Strong Second Harmonic Generation Responses and Moderate Birefringence142M(NH 2 SO 3 ) 2 (M=Sr, Ba): Two Deep‐Ultraviolet Transparent Sulfamates Exhibiting Strong Second Harmonic Generation Responses and Moderate Birefringence27Finding Short-Wavelength Birefringent Crystals with Large Optical Anisotropy Activated by π-Conjugated [C(NH2)3] Units45Regulating Guanidinium-Based Hybrid Materials for Ultraviolet Nonlinear Optical Applications by Hybrid Strength and Hybrid Pattern26Discovery of NLO Semiorganic (C 5 H 6 ON) + (H 2 PO 4 ) − : Dipole Moment Modulation and Superior Synergy in Solar-Blind UV Region270AZn(PO3)3 (A = K, Rb): Deep-Ultraviolet Nonlinear Optical Phosphates Derived from Synergy of a Unique [ZnO6] Octahedron and a [PO3]∞ Chain25Toward the Enhancement of Critical Performance for Deep-Ultraviolet Frequency-Doubling Crystals Utilizing Covalent Tetrahedra137Discovery of First Magnesium Fluorooxoborate with Stable Fluorine Terminated Framework for Deep‐UV Nonlinear Optical Application167Discovery of First Magnesium Fluorooxoborate with Stable Fluorine Terminated Framework for Deep‐UV Nonlinear Optical Application18AXHg3P2S8 (A = Rb, Cs; X = Cl, Br): New Excellent Infrared Nonlinear Optical Materials with Mixed‐Anion Chalcohalide Groups of Trigonal Planar [HgS2X]3− and Tetrahedral [HgS3X]5−58Fluorine‐Driven Enhancement of Birefringence in the Fluorooxosulfate: A Deep Evaluation from a Joint Experimental and Computational Study139Hydroxyfluorooxoborate Na[B3O3F2(OH)2]⋅[B(OH)3]: Optimizing the Optical Anisotropy with Heteroanionic Units for Deep Ultraviolet Birefringent Crystals146Hydroxyfluorooxoborate Na[B3O3F2(OH)2]⋅[B(OH)3]: Optimizing the Optical Anisotropy with Heteroanionic Units for Deep Ultraviolet Birefringent Crystals16A2MoO2F3(IO2F2) (A = Rb, Cs): Strong Nonlinear Optical Responses and Enlarged Band Gaps through Fluorine Incorporation50Exploring Deep-UV Nonlinear Optical Materials with Enhanced Second Harmonic Generation Response and Birefringence in Fluoroaluminoborate Crystals69Tetrafluoroborate-Monofluorophosphate (NH4)3[PO3F][BF4]: First Member of Oxyfluoride with B–F and P–F Bonds16The application and development of the first principles calculation in nonlinear optical materials1Li2MTeO6 (M=Ti, Sn): Mid‐Infrared Nonlinear Optical Crystal with Strong Second Harmonic Generation Response and Wide Transparency Range72Li2MTeO6 (M=Ti, Sn): Mid‐Infrared Nonlinear Optical Crystal with Strong Second Harmonic Generation Response and Wide Transparency Range4A General Principle for DUV NLO Materials: π‐Conjugated Confinement Enlarges Band Gap**175A General Principle for DUV NLO Materials: π‐Conjugated Confinement Enlarges Band Gap**272D van der Waals Layered [C(NH2)3]2SO3S Exhibits Desirable UV Nonlinear-Optical Trade-Off47AAl3P6O20 (A = Rb, Cs): Two deep-ultraviolet transparent nonlinear optical materials designed by aliovalent substitution11K6Bi13(PO4)15, K5Bi(P2O7)2, A5Bi5(PO4)4(P2O7)2 (A=K, Rb): New bismuth phosphates with different condensed phosphate groups8Guanidinium Fluorooxoborates as Efficient Metal-free Short-Wavelength Nonlinear Optical Crystals140Recent Development of Non-π-Conjugated Deep Ultraviolet Nonlinear Optical Materials106(N 2 H 6 )[HPO 3 F] 2 : maximizing the optical anisotropy of deep-ultraviolet fluorophosphates33[C 3 N 6 H 7 ] 2 [B 3 O 3 F 4 (OH)]: a new hybrid birefringent crystal with strong optical anisotropy induced by mixed functional units85[C(NH 2 ) 3 ] 2 S 2 O 8 : combining delocalized and localized π-conjugate units to achieve strong optical anisotropy21Bridging oxygen atoms in trigonal prism units driven strong second-harmonic-generation efficiency in Sr 3 Ge 2 O 4 Te 318From oxides to oxysulfides: the mixed-anion GeS 3 O unit induces huge improvement in the nonlinear optical effect and optical anisotropy for potential nonlinear optical materials19K 2 (BeS)O 4 F 2 : a novel fluorosulfate with unprecedented 1D [(BeO 3 F)–(SO 3 F)] ∞ chains exhibiting large birefringence10Li 3 [Al(PO 4 ) 2 (H 2 O) 1.5 ] and Na[AlP 2 O 7 ]: from 2D layered polar to 3D centrosymmetric framework structures8Metal oxyhalides: an emerging family of nonlinear optical materials124Performance of optical materials with the derivative of planar π-conjugated groups: Recent advances and future prospects37Variable dimensionality of the anion framework in four new borophosphates and fluoroborophosphates with short cutoff edges13Review of Heteroleptic Tetrahedra as Birefringent or Nonlinear Optical Motifs17Novel layered heterobimetallic fluorides with large optical band gaps3Advances in second-order nonlinear optical sulfates38Sulfamide: A Promising Deep‐Ultraviolet Nonlinear Optical Crystal Assembled from Polar Covalent [SO2(NH2)2] Tetrahedra9Sulfamide: A Promising Deep‐Ultraviolet Nonlinear Optical Crystal Assembled from Polar Covalent [SO2(NH2)2] Tetrahedra84Inorganic nonlinear optical materials7CsY(SO4)2·4H2O: A Deep-Ultraviolet Birefringent Crystal Induced by an Edge-Sharing Connection26Finding the First Squarates Nonlinear Optical Crystal NaHC4O4·H2O with Strong Second Harmonic Generation and Giant Birefringence56Sr3[SnOSe3][CO3]: A Heteroanionic Nonlinear Optical Material Containing Planar π‐conjugated [CO3] and Heteroleptic [SnOSe3] Anionic Groups78Sr3[SnOSe3][CO3]: A Heteroanionic Nonlinear Optical Material Containing Planar π‐conjugated [CO3] and Heteroleptic [SnOSe3] Anionic Groups7A deep ultraviolet transparent birefringent monofluorophosphate: Cd2.5(NH4)2(PO3F)3Cl ⋅ 2H2O4Screening Nitrides with High Debye Temperatures as Nonlinear Optical Materials19SrZnGeS 4 : A Dual‐Waveband Nonlinear Optical Material with a Transparency Spanning UV/Vis and Far‐IR Spectral Regions88SrZnGeS4: A Dual‐Waveband Nonlinear Optical Material with a Transparency Spanning UV/Vis and Far‐IR Spectral Regions12Noncentrosymmetric (C3H7N6)6(H2PO4)4(HPO4)·4H2O and Centrosymmetric (C3H7N6)2SO4·2H2O: Exploration of Acentric Structure by Combining Planar and Tetrahedral Motifs via Hydrogen Bonds37Two Metal Phosphate Nonlinear Optical Materials Simultaneously Exhibiting Ultraviolet Transparence and a Large Birefringence50AgGaSe2-Inspired Nonlinear Optical Materials: Tetrel Selenides of Alkali Metals and Mercury34Deep-ultraviolet nonlinear optical crystals: concept development and materials discovery181Designing a deep-UV nonlinear optical monofluorophosphate22From Phosphate Fluoride to Fluorophosphate: Design of Novel Ultraviolet/Deep-Ultraviolet Nonlinear Optical Materials for BePO3F with Optical Property Enhancement34BaSb(H2PO2)3Cl2: An excellent UV nonlinear optical hypophosphite exhibiting strong second-harmonic generation response32SbHPO3F: 2D van der Waals Layered Phosphite Exhibiting Large Birefringence32Phosphites: A Nonlinear Optical Materials System with a Wide Band Gap and Moderate Second-Harmonic Generation Effect27Local Polarity-Induced Assembly of Second-Order Nonlinear Optical Materials128Isostructural Crystals of Bis(Guanidinium) Trioxofluoro-Phosphate/Phosphite in the Ratio 1/0, 0.716/0.284, 0.501/0.499, 0.268/0.732, 0/1—Crystal Structures, Vibrational Spectra and Second Harmonic Generation3NaHSO4·H2O: A Promising Deep-Ultraviolet Nonlinear-Optical Bisulfate with Large Birefringence and a Second-Harmonic-Generation Effect16Cd(NH 2 SO 3 ) 2 · x H 2 O ( x = 0, 2): new sulfamates with a unique coordination environment and reversible phase transitions20Noncentrosymmetric versus Centrosymmetric: Halogen Induced Variable Coordination Modes of Sn2+ and Structural Transition in Sn3B3O7X (X = Cl and Br)17A lithium–scandium sulfate with second-harmonic generation response and deep-ultraviolet transparency7Anisotropic structure building unit involving diverse chemical bonds: a new opportunity for high-performance second-order NLO materials181Ce 3 F 4 (SO 4 ) 4 : cationic framework assembly for designing polar nonlinear optical material through fluorination degree modulation23Constructing ultraviolet nonlinear optical crystals with large second harmonic generation and short absorption edges by using polar tetrahedral S 2 O 3 groups14Li2AB5O8F2 (A = Na and K): two new deep-ultraviolet transparent fluorooxoborates with moderate birefringence designed by targeted dimensional modulation7Modulating optical performance by phase transition in a nonlinear optical material β-Li 2 RbBi(PO 4 ) 28Recent advances on the synthesis of Sb(III)-based inorganic ultraviolet nonlinear optical materials47β-(C 3 H 7 N 6 ) 2 Cl 2 ·H 2 O and (C 3 H 7 N 6 )F·H 2 O: two UV birefringent crystals induced by uniformly aligned structural groups35Intense d‐p Hybridization in Nb3O15 Tripolymer Induced the Largest Second Harmonic Generation Response and Birefringence in Germanates51Intense d‐p Hybridization in Nb3O15 Tripolymer Induced the Largest Second Harmonic Generation Response and Birefringence in Germanates7Isomeric Cd(NH4)2(PO3F)2·2H2O: Solution concentration-driven elimination of antiparallel dipole-dipole interaction generating an SHG β phase12Atomic Structural Origin of Fictive Temperature Revealed by AZnP3O9 (A=K, Rb) Glasses3Atomic Structural Origin of Fictive Temperature Revealed by AZnP3O9 (A=K, Rb) Glasses2Controlling the Nonlinear Optical Behavior and Structural Transformation with A‐Site Cation in α‐AZnPO4 (A = Li, K)20Recent advances of inorganic phosphates with UV/DUV cutoff edge and large second harmonic response7Identifying Ordered OH/F Anions in Hydroxyfluorides by a Terahertz Spectroscopic Approach21Recent advances in non-π-conjugated nonlinear optical sulfates with deep-UV absorption edge53Facile synthesis, novel structure, and tunable luminescence properties of K6Bi13(PO4)15:Dy3+,Eu3+ phosphors for ultraviolet converted white light-emitting diodes33Recent progress of newly developed functional building units and corresponding nonlinear optical materials14Design of the Ionic Organic Nonlinear Optical Material NH 4 [LiC 3 H(CH 3 )O 4 ] with Ultrawide Band Gap and Moderate Birefringence79Design of the Ionic Organic Nonlinear Optical Material NH 4 [LiC 3 H(CH 3 )O 4 ] with Ultrawide Band Gap and Moderate Birefringence9Design Principles for Noncentrosymmetric Materials23From Monofluorophosphates A2PO3F to Difluorophosphates APO2F2 (A = alkali metal): Design of a Potential Deep-Ultraviolet Nonlinear Optical Materials System with a Shortened Phase-Matching Wavelength41The Strategy to Improve the Phase Matching Ability in Tetrahedron‐Based Deep‐Ultraviolet Nonlinear Optical Crystals21Nonlinear optical inorganic sulfates: The improvement of the phase matching ability driven by the structural modulation41NaCl·CH4N2O·H2O: An Organic–Inorganic Hybrid Ultraviolet Nonlinear Optical Crystal with Optimized Comprehensive Properties8Strategy for a Rational Design of Deep-Ultraviolet Nonlinear Optical Materials from Zeolites2Sr(NO 3 )(NH 2 SO 3 )·H 2 O: First Nitrate Sulfamate Revealing Remarkable Second Harmonic Generation and Optimized Birefringence25Frequency-dependent nonlinear optical response and refractive index investigation of lactone-derived thermochromic compounds12

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  1. Monofluorophosphates: A new candidate of deep-ultraviolet nonlinear optical materials

    Chinese Science Bulletin (Chinese Version) · 2018-11-13

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  2. A 2 SrM IV S 4 (A = Li, Na; M IV = Ge, Sn) concurrently exhibiting wide bandgaps and good nonlinear optical responses as new potential infrared nonlinear optical materials

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  3. Exploration of the deep-ultraviolet nonlinear optical materials in the derivatives of KBe2BO3F2

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  4. From centrosymmetric to noncentrosymmetric: cation-directed structural evolution in X 3 ZnB 5 O 10 (X = Na, K, Rb) and Cs 12 Zn 4 (B 5 O 10 ) 4 crystals

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  5. Modulation of perovskite-related frameworks induced by alkaline earth metals in phosphate fluorides A 2 MPO 4 F (A = K, Rb; M = Ba, Ca)

    New Journal of Chemistry · 2019-01-01

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  6. Three new phosphates, Cs8Pb4(P2O7)4, CsLi7(P2O7)2 and LiCa(PO3)3: structural comparison, characterization and theoretical calculation

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  7. Uniform Alignment of Non-π-Conjugated Species Enhances Deep Ultraviolet Optical Nonlinearity

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  8. Variable Chains Found in Mixed Transition Metal Oxyfluorides with Heterocyclic Ligands

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  9. KNa 4 B 2 P 3 O 13 : A Deep-Ultraviolet Transparent Borophosphate Exhibiting Second-Harmonic Generation Response

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  11. Facile Growth of an Ultraviolet Hydroisocyanurate Crystal with Strong Nonlinearity and a Wide Phase-Matching Region from π-Conjugated (HC3N3O3)2– Groups

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  14. CsAlB 3 O 6 F: a beryllium-free deep-ultraviolet nonlinear optical material with enhanced thermal stability

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  17. Emergent Deep‐Ultraviolet Nonlinear Optical Candidates

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  19. “Old dog, new tricks”: the lone pair effect inducing divergent optical responses in lead cyanurates containing π-bonds

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  21. K 4 (PO 2 F 2 ) 2 (S 2 O 7 ): first fluorooxophosphorsulfate with mixed-anion [S 2 O 7 ] 2− and [PO 2 F 2 ] − groups

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  22. Study on the Solid-State Nonlinear Optical Switch with the Widest Tunable Temperature Range

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  23. The functionality of tetrahedral units in fluoroxoiodates: fluorine-modulating effects in iodates with lone pair electrons

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  34. New Alkaline-Earth Metal Fluoroiodates Exhibiting Large Birefringence and Short Ultraviolet Cutoff Edge with Highly Polarizable (IO 3 F) 2– Units

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  36. Rational Design of the Metal‐Free KBe2BO3F2⋅(KBBF) Family Member C(NH2)3SO3F with Ultraviolet Optical Nonlinearity

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  37. Cyclophosphate MBi(P4O12) (M = Cs, Rb): Structure Change Giving Rise to Property Enhancement

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