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RESEARCH PAPER · Journal of the American Chemical Society · 2010

A Strong Second-Harmonic Generation Material Cd4BiO(BO3)3 Originating from 3-Chromophore Asymmetric Structures

Weilong Zhang, Wen‐Dan Cheng, Hao Zhang, Lei Geng, Chensheng Lin, Zhangzhen He

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A Strong Second-Harmonic Generation Material Cd4BiO(BO3)3 Originating from 3-Chromophore Asymmetric StructuresOriginalBiosynthesis and biological activity of enniatins49KZn4SbO7 and KZn4Sb3O12: syntheses, structures and photophysics of Sb5+ control materials13ChemInform Abstract: A Strong Second‐Harmonic Generation Material Cd4BiO(BO3)3 Originating from 3‐Chromophore Asymmetric Structures.1Cd1−xBix(Cd1+xIn1−x)VO6 (0 ≤ x ≤ 0.14): A New Polar Oxide with Second-Harmonic Generation22Pb 2 B 5 O 9 I: An Iodide Borate with Strong Second Harmonic Generation361A congruently melting and deep UV nonlinear optical material: Li3Cs2B5O10104Bulk crystal growth and characterization of a new polar polymorph of BaTeMo2O9: α-BaTeMo2O998New Second-Order NLO Materials Based on Polymeric Borate Clusters and GeO4 Tetrahedra: A Combined Experimental and Theoretical Study69Li4Cs3B7O14: Synthesis, Crystal Structure, and Optical Properties84Explorations of New Second-Order Nonlinear Optical Materials in the Potassium Vanadyl Iodate System268Top-Seeded Solution Growth, Morphology, and Properties of a Polar Crystal Cs2TeMo3O1277Growth, crystal structure and optical properties of layered dibarium cadmium diborate, Ba2Cd(BO3)217K3B6O10Cl: A New Structure Analogous to Perovskite with a Large Second Harmonic Generation Response and Deep UV Absorption Edge670Growth, structure and properties of the non-centrosymmetric hydrated borate CaN2B8O26H3210Synthesis, structure characterization and optical properties of a new tripotassium cadmium pentaborate, K3CdB5O1033Structures and properties of functional metal iodates72A New Lithium Rubidium Borate Li6Rb5B11O22 with Isolated B11O22 Building Blocks72Polymorphism of BaTeMo 2 O 9 : A New Polar Polymorph and the Phase Transformation186“A” Cation Polarity Control in ACuTe2O7 (A = Sr2+, Ba2+, or Pb2+)52NaSr3Be3B3O9F4: A Promising Deep‐Ultraviolet Nonlinear Optical Material Resulting from the Cooperative Alignment of the [Be3B3O12F]10− Anionic Group369NaSr3Be3B3O9F4: A Promising Deep‐Ultraviolet Nonlinear Optical Material Resulting from the Cooperative Alignment of the [Be3B3O12F]10− Anionic Group67Novel Trumpet-Shaped Conjugation Bridge (Carbon Nanocone) for Nonlinear Optical Materials31Molecular Engineering Design to Resolve the Layering Habit and Polymorphism Problems in Deep UV NLO Crystals: New Structures in MM′Be2B2O6F (M═Na, M′═Ca; M═ K, M′═Ca, Sr)199Synthesis, structure characterization and optical properties of a new lead cadmium borate27A new congruent-melting oxyborate, Pb 4 O(BO 3 ) 2 with optimally aligned BO 3 triangles adopting layered-type arrangement112A new noncentrosymmetric vanadoborate: synthesis, crystal structure and characterization of K2SrVB5O1222A novel deep UV nonlinear optical crystal Ba3B6O11F2, with a new fundamental building block, B6O14 group180Cadmium-rare earth oxyborates Cd4ReO(BO3)3 (Re = Y, Gd, Lu): congruently melting compounds with large SHG responses65Cation Effect in Doped BBO and Halogen Anion Effect in Pb2B5O9X (X− = I−, Br−, Cl−)1Li5Rb2B7O14: a new congruently melting compound with two kinds of B–O one-dimensional chains and short UV absorption edge25PbPt(IO3)6(H2O): a new polar material with two types of stereoactive lone-pairs and a very large SHG response80Second-Order Nonlinear Optical Materials Based on Metal Iodates, Selenites, and Tellurites60Structural Designs and Property Characterizations for Second-Harmonic Generation Materials1Crystal structures and second-order NLO properties of borogermanates59UV Nonlinear Optical Crystal Ba2[B6O9(OH)4] Featuring Unique Chiral Layers with a New B18O42 Circle Based on BO3 and BO4 Units97Synthesis, crystal structure and properties of a new lead fluoride borate, Pb3OBO3F17Synthesis, crystal structure and properties of a new strontium cadmium diborate5Pb4VBO8: Synthesis, Crystal Structure, and Properties5Growth and optical properties of Na3Gd2(BO3)3 crystal11Synthesis, crystal structure and optical properties of a new orthorhombic phase, Na3ZnB5O1014Synthesis, crystal structure and properties of a new congruently melting compound, K3ZnB5O1016Synthesis, crystal structure and properties of a new lead calcium diborate7Synthesis, growth, crystal structure and optical properties of BaBiBO49Exploratory Investigation of New SHG Materials Based on Galloborates46Syntheses and Magnetic Properties Study of Isostructural BiM2BP2O10 (M = Co, Ni) Containing a Quasi-1D Linear Chain Structure34Strain-induced improvements on linear and nonlinear optical properties of SrB4O7 crystal19Na3Cd3B(PO4)4: A New Noncentrosymmetric Borophosphate with Zero-Dimensional Anion Units81CdB10O14(OH)4·H2O with an unprecedented decaborate fundamental building block1Growth, optical and electrical properties of a nonlinear optical crystal NaBa4Al2B8O18Cl315Na2Cd7B8O20: a new noncentrosymmetric compound with special [B3O7] units20New tartratoborates: synthesis, structure, and characterization of non-centrosymmetric ASr[C4H2O6B(OH)2]·4H2O (A = K+, Rb+)29Syntheses and Properties of Some Bi-Containing Compounds with Noncentrosymmetric Structure3Synthesis, crystal growth and characterization of a new noncentrosymmetric borophosphate: RbPbBP2O836Synthesis, structure, and characterization of a new promising nonlinear optical crystal: Cd5(BO3)3F42ZnTeMoO6: a strong second-harmonic generation material originating from three types of asymmetric building units53New Molybdenum(VI) Phosphates: Synthesis, Characterization, and Calculations of Centrosymmetric RbMoO2PO4and Noncentrosymmetric Rb4Mo5P2O2239Cs2B4SiO9: A Deep‐Ultraviolet Nonlinear Optical Crystal278Cs2B4SiO9: A Deep‐Ultraviolet Nonlinear Optical Crystal224Boric acid flux synthesis, structure and magnetic property of MB12O14(OH)10 (M=Mn, Fe, Zn)12Crystal structure, growth and characterization of LiPbB9O15: A new congruent melting nonlinear optical crystal26Ab initio study of elasticity, piezoelectricity, and nonlinear optical performance in monoclinic NaAsSe226Zn2(VO4)(IO3): A Novel Polar Zinc(II) Vanadium(V) Iodate with a Large SHG Response94New Salt-Inclusion Borate, Li3Ca9(BO3)7·2[LiF]: A Promising UV NLO Material with the Coplanar and High Density BO3 Triangles56Ba2Cd(B3O6)2: A Congruent‐Melting Compound with Isolated B3O6 Units8Na 11 B 21 O 36 X 2 (X=Cl, Br): Halogen Sodium Borates with a New Graphene‐Like Borate Double Layer38Facile Assembly of an Unusual Lead Borate with Different Cluster Building Units via a Hydrothermal Process38Synthesis and Structure of KPbBP 2 O 8 – A Congruent Melting Borophosphate with Nonlinear Optical Properties35Hydrothermal synthesis, growth, and properties of a new chloride iodate13Effect of Rigid Units on the Symmetry of the Framework: Design and Synthesis of Centrosymmetric NaBa4(B5O9)2F2Cl and Noncentrosymmetric NaBa4(AlB4O9)2Br350Effects of the Cage Unit Size and Number of Cage Units As Well As Bridge Unit on the Second Order Nonlinear Optical Response in Multicage Electride Molecules16Pb2B3O5.5(OH)2 and [Pb3(B3O7)](NO3): Facile Syntheses of New Lead(II) Borates by Simply Changing the pH Values of the Reaction Systems55The effects of external electric field: creating non-zero first hyperpolarizability for centrosymmetric benzene and strongly enhancing first hyperpolarizability for non-centrosymmetric edge-modified graphene ribbon H2N-(3,3)ZGNR-NO215From One-Dimensional Linear Chain to Two-Dimensional Layered Chalcogenides XBi4S7(X = Mn, Fe): Syntheses, Crystal and Electronic Structures, and Physical Properties17Metal Chalcogenides: A Rich Source of Nonlinear Optical Materials680Noncentrosymmetric Cubic CsCdBO3 with Bichromophore23Ab initio calculation of structural, electronic and optical properties of Hg(IO3)27A novel aluminoborate open-framework [In(dien) 2 ][Al 2 B 7 O 16 H 2 ] with large chiral cavities templated by chiral main group metal complexes51Li 0.8 Mg 2.1 B 2 O 5 F: the first borate fluoride with magnesium–oxygen–fluorine octahedral chains20SrGe2B2O8 and Sr3Ge2B6O16: Novel Strontium Borogermanates with Three-Dimensional and Layered Anionic Architectures50Synthesis, structure, and characterization of a new rubidium cadmium borate: RbCdB3O68CsPbCO3F: A Strong Second-Harmonic Generation Material Derived from Enhancement via p−π Interaction272Pb3B6O11F2: the first non-centrosymmetric lead borate fluoride with a large second harmonic generation response61Direct hydrolysis preparation for novel bi-based oxysalts photocatalyst Bi6O5(OH)3(NO3)5·3H2O with high photocatalytic activity42Probe the accumulation modes of the Au–C22H14dimer on the structure and NLO properties4Synthesis and characterization of Cd 4 YbO(BO 3 ) 3 – a congruent melting cadmium–ytterbium oxyborate with large nonlinear optical properties11Two Cu-complex directed aluminoborates: from 2D layers to 3D frameworks16Cs 3 Zn 6 B 9 O 21 : A Chemically Benign Member of the KBBF Family Exhibiting the Largest Second Harmonic Generation Response361Syntheses, characterization and nonlinear optical properties of a bismuth subcarbonate Bi2O2CO363A New UV Nonlinear Optical Material CsZn2B3O7: ZnO4 Tetrahedra Double the Efficiency of Second-Harmonic Generation121Two New Barium Borate Fluorides ABa12(BO3)7F4 (A = Li and Na)41Investigation of the second-order nonlinear optical properties of Cs2TeMo3O12 single crystal31A Nitrate Nonlinear Optical Crystal Pb16(OH)16(NO3)16 with a Large Second-Harmonic Generation Response57SHG Materials SnGa4Q7 (Q = S, Se) Appearing with Large Conversion Efficiencies, High Damage Thresholds, and Wide Transparencies in the Mid-Infrared Region141Li2CdGeS4, A Diamond-Like Semiconductor with Strong Second-Order Optical Nonlinearity in the Infrared and Exceptional Laser Damage Threshold193Sr8MB18O36 (M = Zn or Cd): Design and Synthesis of Two New Borates with a Special Ratio of 8:16Series of Lead Oxide Hydroxide Nitrates Obtained by Adjusting the pH Values of the Reaction Systems32First-principles materials applications and design of nonlinear optical crystals259PbCd 2 B 6 O 12 and EuZnB 5 O 10 : syntheses, crystal structures and characterizations of two new mixed metal borates43The interaction between cations and anionic groups inducing SHG enhancement in a series of apatite-like crystals: A first-principles study23Pb 4 V 6 O 16 (SeO 3 ) 3 (H 2 O), Pb 2 VO 2 (SeO 3 ) 2 Cl, and PbVO 2 (SeO 3 )F: New Lead(II)–Vanadium(V) Mixed-Metal Selenites Featuring Novel Anionic Skeletons67Temperature-Triggered Reversible Dielectric and Nonlinear Optical Switch Based on the One-Dimensional Organic–Inorganic Hybrid Phase Transition Compound [C 6 H 11 NH 3 ] 2 CdCl 496A series of novel mercury( i ) selenites and tellurites containing SOJT Mo 6+ cations18Dispersion of the linear and nonlinear optical susceptibilities of Bismuth subcarbonate Bi2O2CO3: DFT calculations12Lanthanum Lead Oxide Hydroxide Nitrates with a Nonlinear Optical Effect30Designing the syntheses and photophysical simulations of noncentrosymmetric compounds17Anomalous second-harmonic generation response in SrBPO 5 and BaBPO 541Bi 2 Te(IO 3 )O 5 Cl: a novel polar iodate oxychloride exhibiting a second-order nonlinear optical response29An outstanding second-harmonic generation material BiB 2 O 4 F: exploiting the electron-withdrawing ability of fluorine92ACdCO 3 F (A = K and Rb): new noncentrosymmetric materials with remarkably strong second-harmonic generation (SHG) responses enhanced via π-interaction61Approaching the structure of REBaB 9 O 16 (RE = rare earth) by characterization of a new analogue Ba 6 Bi 9 B 79 O 13813BaBi(SeO 3 ) 2 Cl: a new polar material showing high second-harmonic generation efficiency enhanced by constructive alignment of chloride ions36Evidence of “new hot spots” from determining the nonlinear optical behavior of materials: mechanistic studies of the vanadium borate crystal, Na 3 VO 2 B 6 O 1116Morphology and polarization-dependent second harmonic generation in single hexagonal sodium niobate micro/nano-crystals16PbGa 4 S 7 : a wide-gap nonlinear optical material91Sr 2 (OH) 3 NO 3 : the first nitrate as a deep UV nonlinear optical material with large SHG responses166Synthesis and characterization of a new mid-infrared transparent compound: acentric Ba 5 In 4 Te 4 S 713The photorefractive characteristics of bismuth-oxide doped lithium niobate crystals19Theoretical perspective of the lone pair activity influence on band gap and SHG response of lead borates24PbGa2MSe6 (M = Si, Ge): Two Exceptional Infrared Nonlinear Optical Crystals131Recent advances on second-order NLO materials based on metal iodates328A Facile Synthetic Route to a New SHG Material with Two Types of Parallel π‐Conjugated Planar Triangular Units287A Facile Synthetic Route to a New SHG Material with Two Types of Parallel π‐Conjugated Planar Triangular Units59Tailored Synthesis of a Nonlinear Optical Phosphate with a Short Absorption Edge241Tailored Synthesis of a Nonlinear Optical Phosphate with a Short Absorption Edge60Alkali-metal/alkaline-earth-metal fluorine beryllium borate NaSr3Be3B3O9F4 with large nonlinear optical properties in the deep-ultraviolet region32Pb7O(OH)3(CO3)3(BO3): First Mixed Borate and Carbonate Nonlinear Optical Material Exhibiting Large Second-Harmonic Generation Response74Cs(TaO 2 ) 3 (SeO 3 ) 2 and Cs(TiOF) 3 (SeO 3 ) 2 : Structural and Second Harmonic Generation Changes Induced by the Different d 0 -TM Coordination Octahedra67Two New Mixed Metal Borates Made of Mg(B6O7(OH)6)2 and B8O14(OH)4 Cluster Units3Pb2Ba3(BO3)3Cl: A Material with Large SHG Enhancement Activated by Pb-Chelated BO3 Groups279Structure refinement and one-center luminescence of Eu3+ activated ZnBi2B2O7 under UV excitation12Linear optical and thermo-physical properties of polar K3B6O10Cl crystal21Efficient photodechlorination of chlorophenols on polarized MZnB5O10 (M = Na and K) nonlinear optical materials20Host‐Sensitized Photoluminescence and Coordination Environment Evolution in Ba6(Bi1–xTbx)9B79O138 (0 ≤ x ≤ 1)5Metal Thiophosphates with Good Mid-infrared Nonlinear Optical Performances: A First-Principles Prediction and Analysis441K2Pb3(CO3)3F2 and KCdCO3F: Novel Fluoride Carbonates with Layered and 3D Framework Structures42Two potential self-activated orthoborates Cd 4 NdO(BO 3 ) 3 and Ca 3 Nd 3 (BO 3 ) 5 : growth, crystal structures and optical properties8Bidenticity-Enhanced Second Harmonic Generation from Pb Chelation in Pb3Mg3TeP2O14169Pb4(OH)4(BrO3)3(NO3): An Example of SHG Crystal in Metal Bromates Containing π-Conjugated Planar Triangle59New fluoroborate Cd 8 B 5 O 15 F with two different isolated borate anions prepared by an open high-temperature solution method7Nonlinear optical response mechanism of noncentrosymmetric lead borate Pb 6 [B 4 O 7 (OH) 2 ] 3 with three crystallographically independent [B 4 O 7 (OH) 2 ] 4− chains8Rb 2 SeOCl 4 ·H 2 O: a polar material among the alkali metal selenite halides with a strong SHG response18Structural variety in zinc telluro-phosphates: syntheses, crystal structures and characterizations of Sr 2 Zn 3 Te 2 P 2 O 14 , Pb 2 Zn 3 Te 2 P 2 O 14 and Ba 2 Zn 2 TeP 2 O 1119The mechanism of large second harmonic generation enhancement activated by Zn 2+ substitution35NaBa4(GaB4O9)2X3 (X = Cl, Br) with NLO-Active GaO4 Tetrahedral Unit: Experimental and ab Initio Studies25Structure modulations in nonlinear optical (NLO) materials Cs2TB4O9(T= Ge, Si)14Lead nitrate hydroxide: A strong second-order optical nonlinearity acentric crystal with high laser damage thresholds13Electronic, Crystal Chemistry, and Nonlinear Optical Property Relationships in the Dugganite A3B3CD2O14 Family148Synthesis, structure, and characterization of two new bismuth(III) selenite/tellurite nitrates: [(Bi3O2)(SeO3)2](NO3) and [Bi(TeO3)](NO3)22Rb2Na(NO3)3: A Congruently Melting UV-NLO Crystal with a Very Strong Second-Harmonic Generation Response71The Flexibility of P2O7 Dimers in Soft Structures: M2CdP2O7 (M = Rb, Cs)13

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  1. Biosynthesis and biological activity of enniatins

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  2. KZn4SbO7 and KZn4Sb3O12: syntheses, structures and photophysics of Sb5+ control materials

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  3. ChemInform Abstract: A Strong Second‐Harmonic Generation Material Cd4BiO(BO3)3 Originating from 3‐Chromophore Asymmetric Structures.

    ChemInform · 2010-05-12

    Weilong Zhang, Wen‐Dan Cheng, Hao Zhang, Lei Geng, Chensheng Lin, Zhangzhen He

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

    Chemistry of Materials · 2010-07-27

    Tao Yang, Junliang Sun, Jeongho Yeon, P. Shiv Halasyamani, Shiliang Huang, J. Hemberger, M. Greenblatt

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  5. Pb 2 B 5 O 9 I: An Iodide Borate with Strong Second Harmonic Generation

    Journal of the American Chemical Society · 2010-08-25

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  6. A congruently melting and deep UV nonlinear optical material: Li3Cs2B5O10

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  7. Bulk crystal growth and characterization of a new polar polymorph of BaTeMo2O9: α-BaTeMo2O9

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  8. New Second-Order NLO Materials Based on Polymeric Borate Clusters and GeO4 Tetrahedra: A Combined Experimental and Theoretical Study

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  9. Li4Cs3B7O14: Synthesis, Crystal Structure, and Optical Properties

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  10. Explorations of New Second-Order Nonlinear Optical Materials in the Potassium Vanadyl Iodate System

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  11. Top-Seeded Solution Growth, Morphology, and Properties of a Polar Crystal Cs2TeMo3O12

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  12. Growth, crystal structure and optical properties of layered dibarium cadmium diborate, Ba2Cd(BO3)2

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  13. K3B6O10Cl: A New Structure Analogous to Perovskite with a Large Second Harmonic Generation Response and Deep UV Absorption Edge

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  14. Growth, structure and properties of the non-centrosymmetric hydrated borate CaN2B8O26H32

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  15. Synthesis, structure characterization and optical properties of a new tripotassium cadmium pentaborate, K3CdB5O10

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  16. Structures and properties of functional metal iodates

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  17. A New Lithium Rubidium Borate Li6Rb5B11O22 with Isolated B11O22 Building Blocks

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

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  19. “A” Cation Polarity Control in ACuTe2O7 (A = Sr2+, Ba2+, or Pb2+)

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  20. NaSr3Be3B3O9F4: A Promising Deep‐Ultraviolet Nonlinear Optical Material Resulting from the Cooperative Alignment of the [Be3B3O12F]10− Anionic Group

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  21. NaSr3Be3B3O9F4: A Promising Deep‐Ultraviolet Nonlinear Optical Material Resulting from the Cooperative Alignment of the [Be3B3O12F]10− Anionic Group

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  23. Molecular Engineering Design to Resolve the Layering Habit and Polymorphism Problems in Deep UV NLO Crystals: New Structures in MM′Be2B2O6F (M═Na, M′═Ca; M═ K, M′═Ca, Sr)

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  26. A new noncentrosymmetric vanadoborate: synthesis, crystal structure and characterization of K2SrVB5O12

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  28. Cadmium-rare earth oxyborates Cd4ReO(BO3)3 (Re = Y, Gd, Lu): congruently melting compounds with large SHG responses

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  29. Cation Effect in Doped BBO and Halogen Anion Effect in Pb2B5O9X (X− = I−, Br−, Cl−)

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  31. PbPt(IO3)6(H2O): a new polar material with two types of stereoactive lone-pairs and a very large SHG response

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  32. Second-Order Nonlinear Optical Materials Based on Metal Iodates, Selenites, and Tellurites

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  33. Structural Designs and Property Characterizations for Second-Harmonic Generation Materials

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  34. Crystal structures and second-order NLO properties of borogermanates

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  35. UV Nonlinear Optical Crystal Ba2[B6O9(OH)4] Featuring Unique Chiral Layers with a New B18O42 Circle Based on BO3 and BO4 Units

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  36. Synthesis, crystal structure and properties of a new lead fluoride borate, Pb3OBO3F

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  37. Synthesis, crystal structure and properties of a new strontium cadmium diborate

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  38. Pb4VBO8: Synthesis, Crystal Structure, and Properties

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  39. Growth and optical properties of Na3Gd2(BO3)3 crystal

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  40. Synthesis, crystal structure and optical properties of a new orthorhombic phase, Na3ZnB5O10

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  45. Syntheses and Magnetic Properties Study of Isostructural BiM2BP2O10 (M = Co, Ni) Containing a Quasi-1D Linear Chain Structure

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  46. Strain-induced improvements on linear and nonlinear optical properties of SrB4O7 crystal

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  47. Na3Cd3B(PO4)4: A New Noncentrosymmetric Borophosphate with Zero-Dimensional Anion Units

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  48. CdB10O14(OH)4·H2O with an unprecedented decaborate fundamental building block

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