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RESEARCH PAPER · Journal of the American Chemical Society · 2018

Ba2NaClP2O7: Unprecedented Phase Matchability Induced by Symmetry Breaking and Its Unique Fresnoite-Type Structure

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Ba2NaClP2O7: Unprecedented Phase Matchability Induced by Symmetry Breaking and Its Unique Fresnoite-Type StructureOriginalPb 2 GaF 2 (SeO 3 ) 2 Cl: Band Engineering Strategy by Aliovalent Substitution for Enlarging Bandgap while Keeping Strong Second Harmonic Generation Response178BaPO3Cl: a Metal Phosphate Chloride with Infinite [PO3]∞ Chains25A 2 Bi 2 (SO 4 ) 2 Cl 4 (A = NH 4 , K, Rb): achieving a subtle balance of the large second harmonic generation effect and sufficient birefringence in sulfate nonlinear optical materials98A 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 materials78A rich structural chemistry in π-conjugated hydroisocyanurates: layered structures of A 2 B(H 2 C 3 N 3 O 3 ) 4 · n H 2 O (A = K, Rb, Cs; B = Mg, Ca; n = 4, 10) with high ultraviolet transparency and strong optical anisotropy47Centrosymmetric K 2 SO 4 ·(SbF 3 ) 2 and noncentrosymmetric Rb 2 SO 4 ·(SbF 3 ) 2 resulting from cooperative effects of lone pair and cation size63Cs 2 CdV 2 O 6 Cl 2 and Cs 3 CdV 4 O 12 Br: two new non-centrosymmetric oxyhalides containing d 0 and d 10 cations and exhibiting second harmonic generation activity19Growth and theoretical study on the deep-ultraviolet transparent β-CsBa 2 (PO 3 ) 5 nonlinear optical crystal10K 2 [B 4 O 5 (OH) 4 ]·H 2 O and K 2 [B 4 O 5 (OH) 4 ]: two new hydrated potassium borates with isolated [B 4 O 5 (OH) 4 ] 2− units and different structural frameworks8K 2 SrP 4 O 12 : a deep-UV transparent cyclophosphate as a nonlinear optical crystal79LiGeBO 4 : a nonlinear optical material with a balance between deep-ultraviolet cut-off edge and large SHG response induced by hand-in-hand tetrahedra21Modulation of perovskite-related frameworks induced by alkaline earth metals in phosphate fluorides A 2 MPO 4 F (A = K, Rb; M = Ba, Ca)8Rb 3 SbF 3 (NO 3 ) 3 : an excellent antimony nitrate nonlinear optical material with a strong second harmonic generation response fabricated by a rational multi-component design44RbSbSO 4 Cl 2 : an excellent sulfate nonlinear optical material generated due to the synergistic effect of three asymmetric chromophores79Syntheses, structures, anomalous phase transition and optical properties of two new polymorphic α- and β-LiMoPO 611Two new tin( iv )-containing phosphate fluorides with two types of Sn( iv )–P–O–F frameworks and short cutoff edges0Y 8 O(OH) 15 (CO 3 ) 3 Cl: an excellent short-wave UV nonlinear optical material exhibiting an infrequent three-dimensional inorganic cationic framework61A Niobium Oxyiodate Sulfate with a Strong Second‐Harmonic‐Generation Response Built by Rational Multi‐Component Design114A Niobium Oxyiodate Sulfate with a Strong Second‐Harmonic‐Generation Response Built by Rational Multi‐Component Design25A New Cadmium‐Based Pb2Cd3(PO4)2(P2O7) with Two Types of Isolated P–O Groups18Two Non-π-Conjugated Deep-UV Nonlinear Optical Sulfates268CsSbF 2 SO 4 : An Excellent Ultraviolet Nonlinear Optical Sulfate with a KTiOPO 4 (KTP)‐type Structure87CsSbF2SO4: An Excellent Ultraviolet Nonlinear Optical Sulfate with a KTiOPO4 (KTP)‐type Structure432Cs3Na(H2C3N3O3)4·3H2O: A Mixed Alkali‐Metal Hydroisocyanurate Nonlinear Optical Material Containing π‐Conjugated Six‐Membered‐Ring Units68Deep-Ultraviolet Mixed-Alkali-Metal Borates with Induced Enlarged Birefringence Derived from the Structure Rearrangement of the LiB3O545Uniform Alignment of Non-π-Conjugated Species Enhances Deep Ultraviolet Optical Nonlinearity369Dislocations that Decrease Size Mismatch within the Lattice Leading to Ultrawide Band Gap, Large Second‐Order Susceptibility, and High Nonlinear Optical Performance of AgGaS229Dislocations that Decrease Size Mismatch within the Lattice Leading to Ultrawide Band Gap, Large Second‐Order Susceptibility, and High Nonlinear Optical Performance of AgGaS2186KNa 4 B 2 P 3 O 13 : A Deep-Ultraviolet Transparent Borophosphate Exhibiting Second-Harmonic Generation Response26Highly Polarizable Hg2+ Induced a Strong Second Harmonic Generation Signal and Large Birefringence in LiHgPO4265Further Example of Diphosphates: Synthesis and Characterization of K2Li2P2O72Centrosymmetric Rb2Mg3(SO4)4 and non-centrosymmetric Cs2Mg3(SO4)4 with a phase-matching nonlinear optical response35Syntheses, crystal structures, and characterizations of three new pyrophosphates CsNaZnP2O7, RbNaZnP2O7, and RbLiMgP2O710How To Maximize Birefringence and Nonlinearity of π-Conjugated Cyanurates327Sn2B5O9Cl: A Material with Large Birefringence Enhancement Activated Prepared via Alkaline‐Earth‐Metal Substitution by Tin255Sn2B5O9Cl: A Material with Large Birefringence Enhancement Activated Prepared via Alkaline‐Earth‐Metal Substitution by Tin33Partial Congener Substitution Induced Centrosymmetric to Noncentrosymmetric Transformation Witnessed by K3Ga3(Ge7–xMx)Se20 (M = Si, Sn) and Their Nonlinear Optical Properties51KMg(H 2 O)PO 4 : A Deep-Ultraviolet Transparent Nonlinear Optical Material Derived from KTiOPO 483β-Ba(PO3)2 with DUV cut-off edge and large birefringence5Transformation of Optical Anisotropy Origins in Perovskite-Related Materials: A First-Principles Study23A 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(NH 4 ) 3 [B(OH) 3 ] 2 (COOH) 3 : a graphite-like UV nonlinear optical material with a large birefringence via structural optimization31Ba 6 BO 3 Cl 9 and Pb 6 BO 4 Cl 7 : structural insights into ortho -borates with uncondensed BO 4 tetrahedra10Coordinated regulation on critical physiochemical performances activated from mixed tetrahedral anionic ligands in new series of Sr 6 A 4 M 4 S 16 (A = Ag, Cu; M = Ge, Sn) nonlinear optical materials28K 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 ] − groups14Li 3 CaB 2 O 5 F: a unique sandwich-like structure with diverse and wide Li ion diffusion pathways5M 4 LiBe 4 P 7 O 24 and M 4 Li(Li 3 P)P 7 O 24 (M = Cs, Rb): deep-ultraviolet nonlinear-optical phosphates with a tetrahedra-substituted paracelsian-like framework9Novel ultraviolet (UV) nonlinear optical (NLO) materials discovered by chemical substitution-oriented design302PbSrSiO 4 : a new ultraviolet nonlinear optical material with a strong second harmonic generation response and moderate birefringence37Syntheses, structures and characterization of non-centrosymmetric Rb 2 Zn 3 (P 2 O 7 ) 2 and centrosymmetric Cs 2 M 3 (P 2 O 7 ) 2 (M = Zn and Mg)26Two new ammonium/alkali-rare earth metal difluorophosphates ALa(PO 2 F 2 ) 4 (A = NH 4 and K) with moderate birefringence and short cutoff edges26Two-stage evolution from phosphate to sulfate of new KTP-type family members as UV nonlinear optical materials through chemical cosubstitution-oriented design51Designing Sulfide Borate as a Novel Type of Second-Order Nonlinear-Optical Material91Infrared Nonlinear Optical Polymorphs α- and β-SrCu 2 SnS 4 Exhibiting Large Second Harmonic Generation Responses with Requisite Phase-Matching Behavior44Effects of P2O7 clusters arrangement on second harmonic generation responses of pyrophosphates14Synthesis, Crystal Structure, and Characterization of a Noncentrosymmetric Sulfate Cs2Ca2(SO4)320Mixed-valent selenium compounds: Noncentrosymmetric Cd3(SeO3)2(SeO4) and Hg3(SeO3)2(SeO4) and centrosymmetric Pb2(SeO3) (SeO4)22Solid-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 Fluorooxosilicophosphate127Effect of Mo/P Ratios on Dimensions: Syntheses, Structures, and Properties of Three New Molybdophosphates10Aliovalent-substituted synthesis for a non-centrosymmetric phosphate with enhanced nonlinear-optical response5K4Sb(SO4)3Cl: The first apatite-type sulfate ultraviolet nonlinear optical material with sharply enlarged birefringence61Synthesis, crystal structures and optical properties of open-framework gallium phosphates: NaGa3F4(PO4)2(H2O)2 and AGa2P2O7(OH)3(H2O) (A = K, Rb)1A review on phase transition and structure-performance relationship of second-order nonlinear optical polymorphs107Two Pyrophosphates with Large Birefringences and Second‐Harmonic Responses as Ultraviolet Nonlinear Optical Materials137Two Pyrophosphates with Large Birefringences and Second‐Harmonic Responses as Ultraviolet Nonlinear Optical Materials29AGa 3 F 6 (SeO 3 ) 2 (A = Rb, Cs): A New Type of Phase-Matchable Hexagonal Tungsten Oxide Material with Strong Second-Harmonic Generation Responses63K 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 Performance38Zn3B7O13Cl: A New Deep-Ultraviolet Transparency Nonlinear Optical Crystal with Boracite Structure24A 3 BBi(P 2 O 7 ) 2 (A = Rb, Cs; B = Pb, Ba): Isovalent Cation Substitution to Sustain Large Second-Harmonic Generation Responses106Na3AMg7(PO4)6 (A = K, Rb and Cs): Structures, properties and theoretical studies of alkali metal magnesium orthophosphates14Giant Optical Anisotropy in the UV‐Transparent 2D Nonlinear Optical Material Sc(IO 3 ) 2 (NO 3 )212Giant Optical Anisotropy in the UV‐Transparent 2D Nonlinear Optical Material Sc(IO 3 ) 2 (NO 3 )57α‐SnF 2 : A UV Birefringent Material with Large Birefringence and Easy Crystal Growth24α‐SnF 2 : A UV Birefringent Material with Large Birefringence and Easy Crystal Growth210Correspondence on “K2Sb(P2O7)F: Cairo Pentagonal Layer with Bifunctional Genes Reveal Optical Performance”6Correspondence on “K2Sb(P2O7)F: Cairo Pentagonal Layer with Bifunctional Genes Reveal Optical Performance”2Sb6O7(SO4)2: A Promising Ultraviolet Nonlinear Optical Material with an Enhanced Second‐Harmonic‐Generation Response Activated by SbIII Lone‐Pair Stereoactivity62K 3 B 4 PO 10 and K 2 MB 4 PO 10 (M = Rb/Cs): rare mixed-coordinated borophosphates with large birefringence33Ba 4 Ca(B 2 O 5 ) 2 F 2 : π-conjugation of B 2 O 5 in the planar pentagonal layer achieving large second harmonic generation of pyro -borate34Deep-ultraviolet transparent alkali metal–rare earth metal sulfate NaY(SO 4 ) 2 ·H 2 O as a nonlinear optical crystal: synthesis and characterization28From thiophosphate to chalcohalide: mixed-anion AgS x Cl y ligands concurrently enhancing nonlinear optical effects and laser-damage threshold10In situ hydrothermal synthesis of polar second-order nonlinear optical selenate Na 5 (SeO 4 )(HSeO 4 ) 3 (H 2 O) 219K 2 Pb(H 2 C 3 N 3 O 3 ) 4 (H 2 O) 4 : a potential UV nonlinear optical material with large birefringence50K 2 ZnMoP 2 O 10 : a novel nonlinear optical molybdophosphate with a strong second harmonic generation response and moderate birefringence24M 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 family29Rb3In(SO4)3: a defluorinated mixed main-group metal sulfate for ultraviolet transparent nonlinear optical materials with a large optical band gap26The Balance of Deep-Ultraviolet Transparency and Large Second Harmonic Generation Response in a Silicate Crystal0To improve the key properties of nonlinear optical crystals assembled with tetrahedral functional building units46Ultraviolet nonlinear optical crystals A 3 SrBi(P 2 O 7 ) 2 (A = K, Rb) with large second harmonic generation responses15Ba3Sb2(PO4)4 and Cd3Sb2(PO4)4(H2O)2: Two New Antimonous Phosphates with Distinct [Sb(PO4)2] Structure Types and Enhanced Birefringence37A comprehensive survey on nonlinear optical phosphates: Role of multicoordinate groups106M(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 Birefringence27Different mechanism of stereochemical activity and birefringence in post-transition metal halides: A first-principles investigation1[C(NH2)3]3PO4·2H2O: A new metal-free ultraviolet nonlinear optical phosphate with large birefringence and second-harmonic generation response70Large Second-Harmonic Response and Giant Birefringence of CeF 2 (SO 4 ) Induced by Highly Polarizable Polyhedra248AZn(PO3)3 (A = K, Rb): Deep-Ultraviolet Nonlinear Optical Phosphates Derived from Synergy of a Unique [ZnO6] Octahedron and a [PO3]∞ Chain25Borosilicate Crystal LaBSiO5: A New Promising Ultraviolet Quasiphase Matching Material31UV Solar‐Blind‐Region Phase‐Matchable Optical Nonlinearity and Anisotropy in a π‐Conjugated Cation‐Containing Phosphate196UV Solar‐Blind‐Region Phase‐Matchable Optical Nonlinearity and Anisotropy in a π‐Conjugated Cation‐Containing Phosphate28Struvite-type AMgPO4·6H2O (A = NH4, K): Two Natural Deep-Ultraviolet Transparent Nonlinear Optical Crystals13Unique Unilateral-Chelated Mode-Induced d–p−π Interaction Enhances Second-Harmonic Generation Response in New Ln3LiMS7 Family41Be2(BO3)(IO3): The First Anion‐mixed Van der Waals Member in the KBe2BO3F2 Family with a Very Strong Second Harmonic Generation Response130Be2(BO3)(IO3): The First Anion‐mixed Van der Waals Member in the KBe2BO3F2 Family with a Very Strong Second Harmonic Generation Response8Insights into varying dimension structures for deep-UV optical crystals NaBa2Al(P2O7)2 and NaBaAl(PO4)2 constructed separately from unique [Al(P2O7)2] chains and [Al(PO4)2] layers6Two Tellurium(IV)-Based Sulfates Exhibiting Strong Second Harmonic Generation and Moderate Birefringence as Promising Ultraviolet Nonlinear Optical Materials28Triclinic Layered A2ZnSi3S8 (A = Rb and Cs) with Large Optical Anisotropy and Systematic Research on the Inherent Structure–Performance Relationship in the A2MIIBMIV3Q8 Family11From borophosphate to fluoroborophosphate: a rational design of fluorine-induced birefringence enhancement33Strong SHG Responses in a Beryllium‐Free Deep‐UV‐Transparent Hydroxyborate via Covalent Bond Modification89Strong SHG Responses in a Beryllium‐Free Deep‐UV‐Transparent Hydroxyborate via Covalent Bond Modification9From CeF2(SO4)·H2O to Ce(IO3)2(SO4): Defluorinated Homovalent Substitution for Strong Second-Harmonic-Generation Effect and Sufficient Birefringence53NH4Sb2(C2O4)F5: A novel UV nonlinear optical material synthesized in deep eutectic solvents38AAl3P6O20 (A = Rb, Cs): Two deep-ultraviolet transparent nonlinear optical materials designed by aliovalent substitution11Ca-cluster-constructed deep-ultraviolet nonlinear-optical crystal Na2Ca17Al2(PO4)14 with strong NLO response11Complex coordinated functional groups: A great genes for nonlinear optical materials64NaSb3O2(SO4)3·H2O: A New Alkali-Metal Antimony(III) Sulfate with a Unique Sb6O20H4 Unit and Moderate Birefringence19Pushing KTiOPO4-like Nonlinear Optical Sulfates into the Deep-Ultraviolet Spectral Region19A Lanthanum Ammonium Sulfate Double Salt with a Strong SHG Response and Wide Deep‐UV Transparency15A Lanthanum Ammonium Sulfate Double Salt with a Strong SHG Response and Wide Deep‐UV Transparency96Recent Development of Non-π-Conjugated Deep Ultraviolet Nonlinear Optical Materials106Phase Matchability Transformation in the Infrared Nonlinear Optical Materials with Diamond‐Like Frameworks63(C 3 N 6 H 7 ) 2 SiF 6 ·H 2 O: an ultraviolet birefringent crystal exceeding the intrinsic energy gap of an organic reagent38(N 2 H 6 )[HPO 3 F] 2 : maximizing the optical anisotropy of deep-ultraviolet fluorophosphates33Halogen regulation triggers structural transformation from centrosymmetric to noncentrosymmetric switches in tin phosphate halides Sn 2 PO 4 X (X = F, Cl)47KSb(BeF 3 )F 3 : a totally fluorine strategy for achieving wide bandgap and large birefringence23Large optical anisotropy differentiation induced by the anion-directed regulation of structures29Nain(C2o4)(Hpo4)(H2o)5: An Ultraviolet Transparent Nonlinear Optical Oxalate-Phosphate with Large Birefringence0Phase matching achieved by isomorphous substitution in IR nonlinear optical material Ba 2 SnSSi 2 O 7 with an undiscovered [SnO 4 S] functional motif47High‐Performance Sulfate Optical Materials Exhibiting Giant Second Harmonic Generation and Large Birefringence21High‐Performance Sulfate Optical Materials Exhibiting Giant Second Harmonic Generation and Large Birefringence199Review of Heteroleptic Tetrahedra as Birefringent or Nonlinear Optical Motifs17Phosphogermanate Crystal: A New Ultraviolet–Infrared Nonlinear Optical Crystal with Excellent Optical Performances16Advances in second-order nonlinear optical sulfates38CsY(SO4)2·4H2O: A Deep-Ultraviolet Birefringent Crystal Induced by an Edge-Sharing Connection26First‐Principles Investigation About Different Sequence of Stereochemical Activity and Birefringence in Antimony Halides2Balance of Deep-Ultraviolet Transparency and Large Second Harmonic Generation Response in a Silicate Crystal9A2BeS2O8 (A = NH4, K, Rb, Cs) Deep Ultraviolet Nonlinear Optical Crystals33Enhanced Second-Harmonic-Generation Efficiency and Birefringence in Melillite Oxychalcogenides Sr2MGe2OS6 (M = Mn, Zn, and Cd)97[C4H4O4]⋅[C6H13N] as a nonlinear optical co-crystal with spike-like dielectric anomalies0Alkali metal sulfate: A new non-π-conjugated deep-ultraviolet quasi-phase matching crystal27Negative Second Harmonic Response of Sn4+in the Fresnoite Oxysulfide Ba2SnSSi2O720Enhancement of Birefringence in Borophosphate Pushing Phase-Matching into the Short-Wavelength Region150

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  1. Pb 2 GaF 2 (SeO 3 ) 2 Cl: Band Engineering Strategy by Aliovalent Substitution for Enlarging Bandgap while Keeping Strong Second Harmonic Generation Response

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  2. BaPO3Cl: a Metal Phosphate Chloride with Infinite [PO3]∞ Chains

    Inorganic Chemistry · 2018-12-07

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  3. A 2 Bi 2 (SO 4 ) 2 Cl 4 (A = NH 4 , K, Rb): achieving a subtle balance of the large second harmonic generation effect and sufficient birefringence in sulfate nonlinear optical materials

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  4. 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

    Chemical Science · 2019-01-01

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  5. A rich structural chemistry in π-conjugated hydroisocyanurates: layered structures of A 2 B(H 2 C 3 N 3 O 3 ) 4 · n H 2 O (A = K, Rb, Cs; B = Mg, Ca; n = 4, 10) with high ultraviolet transparency and strong optical anisotropy

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  9. K 2 [B 4 O 5 (OH) 4 ]·H 2 O and K 2 [B 4 O 5 (OH) 4 ]: two new hydrated potassium borates with isolated [B 4 O 5 (OH) 4 ] 2− units and different structural frameworks

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  10. K 2 SrP 4 O 12 : a deep-UV transparent cyclophosphate as a nonlinear optical crystal

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  13. Rb 3 SbF 3 (NO 3 ) 3 : an excellent antimony nitrate nonlinear optical material with a strong second harmonic generation response fabricated by a rational multi-component design

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  14. RbSbSO 4 Cl 2 : an excellent sulfate nonlinear optical material generated due to the synergistic effect of three asymmetric chromophores

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

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  16. Two new tin( iv )-containing phosphate fluorides with two types of Sn( iv )–P–O–F frameworks and short cutoff edges

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  17. Y 8 O(OH) 15 (CO 3 ) 3 Cl: an excellent short-wave UV nonlinear optical material exhibiting an infrequent three-dimensional inorganic cationic framework

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  24. Cs3Na(H2C3N3O3)4·3H2O: A Mixed Alkali‐Metal Hydroisocyanurate Nonlinear Optical Material Containing π‐Conjugated Six‐Membered‐Ring Units

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

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  30. Highly Polarizable Hg2+ Induced a Strong Second Harmonic Generation Signal and Large Birefringence in LiHgPO4

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  42. Emergent Deep‐Ultraviolet Nonlinear Optical Candidates

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