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RESEARCH PAPER · Chemistry of Materials · 2017

Bi3OF3(IO3)4: Metal Oxyiodate Fluoride Featuring a Carbon-Nanotube-like Topological Structure with Large Second Harmonic Generation Response

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Bi3OF3(IO3)4: Metal Oxyiodate Fluoride Featuring a Carbon-Nanotube-like Topological Structure with Large Second Harmonic Generation ResponseOriginalA new method for the preparation of a [Sn 2 (H 2 PO 2 ) 3 ]Br SHG-active polar crystal via surfactant-induced strategy12Ag 3 I[(MoO 3 ) 2 (IO 3 ) 2 ]: a new polar material synthesized from the structural modulation of molybdenyl iodate architectures by polarizable cation (Ag + ) and anion (I − )6Li 3 Ge 3 Se 6 : the first ternary lithium germanium selenide with interesting ∞ [Ge 6 Se 12 ] n chains constructed by ethane-like [Ge 2 Se 6 ] 6− clusters8Chemistry-Inspired Adaptable Framework Structures368Syntheses, Structures, and Characterization of Quaternary Tellurites, Li3MTe4O11 (M = Al, Ga, and Fe)13DFT-Based Comparative Study about the Influence of Fluorine and Hydroxyl Anions on Opto-Electric Properties of Borate Crystals: Choice for Better Anion13Synthesis, second-harmonic generations (SHG), and photoluminescence (PL) properties of Ca 4 Bi 6-x Ln x O 13 (Ln=La and Eu) solid solutions3Nonlinear optical response of a series of small molecules: quantum modification of π-spacer and acceptor55Photoconversion Mechanisms and the Origin of Second-Harmonic Generation in Metal Iodates with Wide Transparency, NaLn(IO3)4 (Ln = La, Ce, Sm, and Eu) and NaLa(IO3)4:Ln3+ (Ln = Sm and Eu)32Two Barium Gold Iodates: Syntheses, Structures, and Properties of Polar BaAu(IO3)5 and Nonpolar HBa4Au(IO3)12 Materials5ABi2(IO3)2F5 (A=K, Rb, and Cs): A Combination of Halide and Oxide Anionic Units To Create a Large Second‐Harmonic Generation Response with a Wide Bandgap140ABi2(IO3)2F5 (A=K, Rb, and Cs): A Combination of Halide and Oxide Anionic Units To Create a Large Second‐Harmonic Generation Response with a Wide Bandgap36Spectroscopic characterizations of Dy:LaF 3 crystal41Acentric La3(IO3)8(OH) and La(IO3)2(NO3): Partial Substitution of Iodate Anions in La(IO3)3 by Hydroxide or Nitrate Anion55Li7(TeO3)3F: A Lithium Fluoride Tellurite with Large Second Harmonic Generation Responses and a Short Ultraviolet Cutoff Edge39Influence of A-site cations on germanium iodates as mid-IR nonlinear optical materials: A 2 Ge(IO 3 ) 6 (A = Li, K, Rb and Cs) and BaGe(IO 3 ) 6 ·H 2 O43Pb 3 (SeO 3 )Br 4 : a new nonlinear optical material with enhanced SHG response designed via an ion-substitution strategy36Synthesis and characterization of a series of transition metal oxychlorides: MBi(SeO 3 ) 2 (H 2 O)Cl (M = Co, Ni, Cu)5The first lead fluorooxoborate PbB 5 O 8 F: achieving the coexistence of large birefringence and deep-ultraviolet cut-off edge75Synthesis, second-harmonic generation (SHG), and photoluminescence (PL) properties of noncentrosymmetric bismuth selenite solid solutions, Bi 2-x Ln x SeO 5 (Ln = La and Eu; x = 0–0.3)2Functional Materials Design via Structural Regulation Originated from Ions Introduction: A Study Case in Cesium Iodate System90Li6M(SeO3)4 (M = Co, Ni, and Cd) and Li2Zn(SeO3)2: Selenites with Late Transition-Metal Cations32A Series of Mixed-Metal Germanium Iodates as Second-Order Nonlinear Optical Materials71Crystal structures and theoretical studies of polyphosphate LiZnP3O9 for nonlinear optical applications18Synergetic Influence of Alkali-Metal and Lone-Pair Cations on Frameworks of Tellurites15Assisting the Effective Design of Polar Iodates with Early Transition-Metal Oxide Fluoride Anions206Mo6+ Cation Enrichment of the Structure Chemistry of Iodates: Syntheses, Structures, and Calculations of Ba(MoO2)2(IO3)4O, Ba3[(MoO2)2(IO3)4O(OH)4]·2H2O, and Sr[(MoO2)6(IO4)2O4]·H2O24Second-order nonlinear optical crystals with mixed anions250Function of Tetrahedral ZnS3O Building Blocks in the Formation of SrZn2S2O: A Phase Matchable Polar Oxysulfide with a Large Second Harmonic Generation Response83Ce(IO3)2F2⋅H2O: The First Rare‐Earth‐Metal Iodate Fluoride with Large Second Harmonic Generation Response66A Facile Route to Nonlinear Optical Materials: Three‐Site Aliovalent Substitution Involving One Cation and Two Anions137A Facile Route to Nonlinear Optical Materials: Three‐Site Aliovalent Substitution Involving One Cation and Two Anions23Changes of optical transition models caused by crystal structural changes in CaSe2O50Investigation into the optimized growth, anisotropic properties and theoretical calculations of the polar material Cs 2 TeW 3 O 128KBi(IO 3 ) 3 (OH) and NaBi(IO 3 ) 4 : from the centrosymmetric chain to a noncentrosymmetric double layer18Pb 7 F 12 Cl 2 : a promising infrared nonlinear optical material with high laser damage threshold19Sr[B(OH) 4 ](IO 3 ) and Li 4 Sr 5 [B 12 O 22 (OH) 4 ](IO 3 ) 2 : two unprecedented metal borate-iodates showing a subtle balance of enlarged band gap and birefringence34Crystallographic Investigations into the Polar Polymorphism of BaTeW2O9: Phase Transformation, Controlled Crystallization, and Linear and Nonlinear Optical Properties26New cadmium-selenium-oxyhalides: Noncentrosymmetric Cd5(SeO3)4Cl2(H2O) and centrosymmetric Cd2(SeO3)F2, Cd2(SeO3)(OH)Br17Two Polar Molybdenum(VI) Iodates(V) with Large Second-Harmonic Generation Responses67KBiCl2SO4: The First Bismuth Chloride Sulfate Being Second-Order Nonlinear Optical Active44REI5O14 (RE=Y and Gd): Promising SHG Materials Featuring the Semicircle‐Shaped I5O143− Polyiodate Anion125REI5O14 (RE=Y and Gd): Promising SHG Materials Featuring the Semicircle‐Shaped I5O143− Polyiodate Anion62SrI3O9H: A new alkaline earth metal iodate with two different anionic units using mild aqua-solution method8Synthesis and Magnetic Properties of the KCu(IO3)3 Compound with [CuO5]∞ Chains7LiMII(IO3)3 (MII=Zn and Cd): Two Promising Nonlinear Optical Crystals Derived from a Tunable Structure Model of α‐LiIO398LiMII(IO3)3 (MII=Zn and Cd): Two Promising Nonlinear Optical Crystals Derived from a Tunable Structure Model of α‐LiIO337A x Ce 9 (IO 3 ) 36 (A = K, La): the effects of a change in the intermediate valence on the second-harmonic generation response7A new iodate-phosphate Pb 2 (IO 3 )(PO 4 ) achieving great improvement in birefringence activated by (IO 3 ) − groups53K5(W3O9F4)(IO3): An Efficient Mid-Infrared Nonlinear Optical Compound with High Laser Damage Threshold114(NH4)Bi2(IO3)2F5: An Unusual Ammonium‐Containing Metal Iodate Fluoride Showing Strong Second Harmonic Generation Response and Thermochromic Behavior92(NH4)Bi2(IO3)2F5: An Unusual Ammonium‐Containing Metal Iodate Fluoride Showing Strong Second Harmonic Generation Response and Thermochromic Behavior11A study of composition effects on the bandgaps in a series of new alkali metal aluminum/gallium iodates7Ba(B 2 OF 3 (OH) 2 ) 2 with well-ordered OH/F anions and a unique B 2 OF 3 (OH) 2 dimer30Bi 4 O(I 3 O 10 )(IO 3 ) 3 (SeO 4 ): trimeric condensation of IO 4 3− monomers into the I 3 O 10 5− polymeric anion observed in a three-component mixed-anion NLO material20From BiF 3 to BiF 3 ·H 2 O: diverse Bi( iii ) coordination for structural transformation and birefringence regulation14From centrosymmetric to noncentrosymmetric: intriguing structure evolution in d 10 -transition metal iodate fluorides36Helix-constructed polar rare-earth iodate fluoride as a laser nonlinear optical multifunctional material25In[Ba 3 Cl 3 F 6 ]: a novel infrared-transparent molecular sieve constructed by halides6Rational Design of the Nonlinear Optical Response in a Tin Iodate Fluoride Sn(IO3)2F290Rb21.89W32.66O108: An Excellent Mid- and Far-IR Nonlinear-Optical Material with a Wide Band Gap4ZnIO3F: Zinc Iodate Fluoride with Large Birefringence and Wide Band Gap57K2Na(IO3)2(I3O8) with Strong Second Harmonic Generation Response Activated by Two Types of Isolated Iodate Anions46Dimensionality–Band Gap–Third-Harmonic Generation Property Relationship in Novel Main-Group Metal Iodates37Ba(IO3)F: An Alkaline-Earth-Metal Iodate Fluoride Crystal with Large Band Gap and Birefringence24A6Sb4F12(SO4)3 (A = Rb, Cs): Two Novel Antimony Fluoride Sulfates with Unique Crown-like Clusters50AGa 3 F 6 (SeO 3 ) 2 (A = Rb, Cs): A New Type of Phase-Matchable Hexagonal Tungsten Oxide Material with Strong Second-Harmonic Generation Responses63High Coordinate Metal Iodate Chlorides with Diverse Structural Motifs and Tunable Birefringence10Ba2[MoO3(OH)(IO3)2]IO3: A Promising SHG Material Featuring a Λ-Shaped Functional Motif Achieved by Universal Mono-Site Substitution50A 2 Bi 2 (SeO 3 ) 3 F 2 (A = K and Rb): Excellent Mid-Infrared Nonlinear Optical Materials with Both Strong SHG Responses and Large Band Gaps64From Ag2Zr(IO3)6 to LaZr(IO3)5F2: A Case of Constructing Wide‐band‐gap Birefringent Materials through Chemical Cosubstitution11Chiral Template‐Driven Macroscopic Chirality Control: Structure‐Second‐Harmonic Generation Properties Relationship24Recent Achievements in Lone-Pair Cation-Based Infrared Second-Order Nonlinear Optical Materials95[GaF(H 2 O)][IO 3 F]: a promising NLO material obtained by anisotropic polycation substitution42Barium fluoroiodate crystals with a large band gap and birefringence22NaGaI 3 O 9 F: a new alkali metal gallium iodate combined with IO 3 − and IO 3 F 2− units16Na3Bi(IO3)6: An Alkali-Metal Bismuth Iodate with Intriguing One-Dimensional [BiI6O18] Chains and Pressure-Induced Structural Transition11A Polar Material with Facility of Crystal Growth and a Large Second-Harmonic Generation Response3Order and Disorder: Toward the Thermodynamically Stable α-BaMoO2F4 from the Metastable Polymorph31Cd3(IO3)(IO4)F2·0.1CdO: A Nonlinear-Optical Crystal with the Introduction of Fluoride into Iodate Containing Both [IO3]− and [IO4]3– Groups18A2MoO2F3(IO2F2) (A = Rb, Cs): Strong Nonlinear Optical Responses and Enlarged Band Gaps through Fluorine Incorporation50Synthesis, Structure, Characterization, and Calculation of a Noncentrosymmetric Fluorine-Containing Indium Iodate, Ba[InF3(IO3)2]10Chemical substitution – oriented design of a new polar PbFIO3 achieving a balance between large second-harmonic generation response and wide band gap16A new I 3 O 9 3− group constructed from IO 3 − and IO 5 5− anion units in Cs 3 [Ga 2 O(I 3 O 9 )(IO 3 ) 4 (HIO 3 )]4From CeF2(SO4)·H2O to Ce(IO3)2(SO4): Defluorinated Homovalent Substitution for Strong Second-Harmonic-Generation Effect and Sufficient Birefringence53Ba 2 Bi 2 [Zn(PO 4 ) 4 ]: ionic-isolation-activated first barium bismuth zincophosphate with unprecedented ∞ [Zn(PO 4 ) 4 ] 10− chains and balanced overall performance4Complex coordinated functional groups: A great genes for nonlinear optical materials64K 3 V 2 O 3 F 4 (IO 3 ) 3 : a high-performance SHG crystal containing both five and six-coordinated V 5+ cations33BaI 3 O 9 H: a new alkaline-earth metal hydroxy iodate with two groups2Metal oxyhalides: an emerging family of nonlinear optical materials124HgSO4: An excellent mid-infrared sulfate nonlinear optical crystal with wide band gap and strong second harmonic generation response19First principles investigations of the structural, electronic, mechanical, linear and nonlinear optical properties of RbIO2F21Polar lanthanide copper iodates LnCu(IO3)5 (Ln = La, Ce, Pr, and Nd): Synthesis, crystal structure and characterization6General relationship between the band-gap energy and iodine-oxygen bond distance in metal iodates15Synthesis, crystal structure and optical properties of the first bromine-containing iodate: Pb2IO3Br30NH4IO2F2 and (NH4)3(IO2F2)3·H2O: A Series of Ammonium-Containing Fluoroiodates with Wide Band Gaps12C(NH2)3Rb(I3O8)(IO3)(I2O6H2): An unprecedented organic–inorganic hybrid polyiodate with two different polyiodate groups13PbBi(SeO 3 ) 2 F and Pb 2 Bi(SeO 3 ) 2 Cl 3 : Coexistence of Three Kinds of Stereochemically Active Lone-Pair Cations Exhibiting Excellent Nonlinear Optical Properties57Growth and Characterization of a Nonlinear Optical Crystal Cd3Te2WO10 Decorated by WO4 Tetrahedra Showing a Large Band Gap9Ag[SC(NH2)2]2F: A Laser Damage-Tolerant Infrared Nonlinear Optical Material9MIO 3 F (M = Co and Ni): Magnetic Iodate Fluorides with Zigzag Chains16Synthesis and Crystal Structure of Fluoride K2(Ta0.9I0.1)F7 with the Micro-Isomorphic Substitution in the Ta Cationic Position0C 10 H 6 NO 2 Cd(NO 3 )·2H 2 O: a birefringent crystal with an enlarged band-gap derived from covalent edge-sharing connection4Recent advances in F-containing iodate nonlinear optical materials6CsHfF4(IO3): A Hafnium Iodate Exhibiting a Strong Second-Harmonic-Generation Effect and a Wide Band Gap Achieved by Mixed-Ligand Acentric Coordination8Wide‐Bandgap Rare‐Earth Iodate Single Crystals for Superior X‐Ray Detection and Imaging21A survey of stereoactive oxysalts for linear and nonlinear optical applications40LiGa(IO3)4: An Excellent NLO Material with Unprecedented 2D [Ga(IO3)4]∞− Layer Synthesized by Aliovalent Substitution20(C(NH2)3)2(I2O5F)(IO3)(H2O) and C(NH2)3IO2F2: Two Guanidine Fluorooxoiodates with Wide Band Gap and Large Birefringence20From NaGa(IO3)3F to NaGa(IO3)2F2 and NaGa(IO3)4: The Effects of Chemical Substitution between F– Anions and IO3– Groups on the Structures and Properties of Gallium Iodates13Recent advances in rational structure design for nonlinear optical crystals: leveraging advantageous templates153Hetero‐Anionic Oxychalcogenides with Structures and Properties Tuned by the O:S Ratio14Strong Second‐Harmonic Generation Responses in Salt‐Inclusion Oxychalcogenides Enabled by the Highly Distorted Polyhedra with Mixed‐Anions4Cation-modulated aligned arrangement of [B3O7] units in an unprecedented 2∞[B3O5] layer with remarkable birefringence10Asymmetry-driven organic–inorganic hybrid strategy for constructing structures with exceptional organofunctionalized B–O units2CsB(OH) 4 (H 2 O) 2 and Na(NH 4 ) 2 B 10 O 16 OH(H 2 O): a hydroxylation modification strategy regulates the borate structures and optical properties0From Ba[Sn(IO 3 ) 6 ] to Ba[Sn(IO 3 ) 4 F 2 ]: fluoride-ion-driven enhancement of birefringence and band gap1Boosting Ultraviolet Phase‐Matching Performance of B 3 O 7 ‐Based Systems via Synergistic Fluorination and Organic Modification Strategy1F−/OH− terminal modification of [B3O6] clusters: Constructing deep-ultraviolet hydroxyfluorooxoborates with tunable optical performance0Fluorination‐Driven Molecular Polarization Engineering in Hydroxyfluorooxoborates for Generating Strong Short‐Wavelength Nonlinear Optical Responses0Cation‐Regulated [CH 3 BO 2 F]‐Derived Borates: Synergistic Fluorination and Organic Functionalization for High‐Birefringence UV NLO Materials0

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  1. A new method for the preparation of a [Sn 2 (H 2 PO 2 ) 3 ]Br SHG-active polar crystal via surfactant-induced strategy

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  2. Ag 3 I[(MoO 3 ) 2 (IO 3 ) 2 ]: a new polar material synthesized from the structural modulation of molybdenyl iodate architectures by polarizable cation (Ag + ) and anion (I − )

    Dalton Transactions · 2017-01-01

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  3. Li 3 Ge 3 Se 6 : the first ternary lithium germanium selenide with interesting ∞ [Ge 6 Se 12 ] n chains constructed by ethane-like [Ge 2 Se 6 ] 6− clusters

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  4. Chemistry-Inspired Adaptable Framework Structures

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  5. Syntheses, Structures, and Characterization of Quaternary Tellurites, Li3MTe4O11 (M = Al, Ga, and Fe)

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  6. DFT-Based Comparative Study about the Influence of Fluorine and Hydroxyl Anions on Opto-Electric Properties of Borate Crystals: Choice for Better Anion

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  7. Synthesis, second-harmonic generations (SHG), and photoluminescence (PL) properties of Ca 4 Bi 6-x Ln x O 13 (Ln=La and Eu) solid solutions

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  8. Nonlinear optical response of a series of small molecules: quantum modification of π-spacer and acceptor

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  9. Photoconversion Mechanisms and the Origin of Second-Harmonic Generation in Metal Iodates with Wide Transparency, NaLn(IO3)4 (Ln = La, Ce, Sm, and Eu) and NaLa(IO3)4:Ln3+ (Ln = Sm and Eu)

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  10. Two Barium Gold Iodates: Syntheses, Structures, and Properties of Polar BaAu(IO3)5 and Nonpolar HBa4Au(IO3)12 Materials

    Inorganic Chemistry · 2017-06-02

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  11. ABi2(IO3)2F5 (A=K, Rb, and Cs): A Combination of Halide and Oxide Anionic Units To Create a Large Second‐Harmonic Generation Response with a Wide Bandgap

    Angewandte Chemie International Edition · 2017-06-20

    Hongming Liu, Qi Wu, Xingxing Jiang, Zheshuai Lin, Xiang‐Gao Meng, Xingguo Chen, Jingui Qin

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  12. ABi2(IO3)2F5 (A=K, Rb, and Cs): A Combination of Halide and Oxide Anionic Units To Create a Large Second‐Harmonic Generation Response with a Wide Bandgap

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  13. Spectroscopic characterizations of Dy:LaF 3 crystal

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  14. Acentric La3(IO3)8(OH) and La(IO3)2(NO3): Partial Substitution of Iodate Anions in La(IO3)3 by Hydroxide or Nitrate Anion

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  15. Li7(TeO3)3F: A Lithium Fluoride Tellurite with Large Second Harmonic Generation Responses and a Short Ultraviolet Cutoff Edge

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  16. Influence of A-site cations on germanium iodates as mid-IR nonlinear optical materials: A 2 Ge(IO 3 ) 6 (A = Li, K, Rb and Cs) and BaGe(IO 3 ) 6 ·H 2 O

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  17. Pb 3 (SeO 3 )Br 4 : a new nonlinear optical material with enhanced SHG response designed via an ion-substitution strategy

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  18. Synthesis and characterization of a series of transition metal oxychlorides: MBi(SeO 3 ) 2 (H 2 O)Cl (M = Co, Ni, Cu)

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  19. The first lead fluorooxoborate PbB 5 O 8 F: achieving the coexistence of large birefringence and deep-ultraviolet cut-off edge

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  20. Synthesis, second-harmonic generation (SHG), and photoluminescence (PL) properties of noncentrosymmetric bismuth selenite solid solutions, Bi 2-x Ln x SeO 5 (Ln = La and Eu; x = 0–0.3)

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  21. Functional Materials Design via Structural Regulation Originated from Ions Introduction: A Study Case in Cesium Iodate System

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  22. Li6M(SeO3)4 (M = Co, Ni, and Cd) and Li2Zn(SeO3)2: Selenites with Late Transition-Metal Cations

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  23. A Series of Mixed-Metal Germanium Iodates as Second-Order Nonlinear Optical Materials

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  24. Crystal structures and theoretical studies of polyphosphate LiZnP3O9 for nonlinear optical applications

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  25. Synergetic Influence of Alkali-Metal and Lone-Pair Cations on Frameworks of Tellurites

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  26. Assisting the Effective Design of Polar Iodates with Early Transition-Metal Oxide Fluoride Anions

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  27. Mo6+ Cation Enrichment of the Structure Chemistry of Iodates: Syntheses, Structures, and Calculations of Ba(MoO2)2(IO3)4O, Ba3[(MoO2)2(IO3)4O(OH)4]·2H2O, and Sr[(MoO2)6(IO4)2O4]·H2O

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  29. Function of Tetrahedral ZnS3O Building Blocks in the Formation of SrZn2S2O: A Phase Matchable Polar Oxysulfide with a Large Second Harmonic Generation Response

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  30. Ce(IO3)2F2⋅H2O: The First Rare‐Earth‐Metal Iodate Fluoride with Large Second Harmonic Generation Response

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  31. A Facile Route to Nonlinear Optical Materials: Three‐Site Aliovalent Substitution Involving One Cation and Two Anions

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  32. A Facile Route to Nonlinear Optical Materials: Three‐Site Aliovalent Substitution Involving One Cation and Two Anions

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  33. Changes of optical transition models caused by crystal structural changes in CaSe2O5

    Journal of Solid State Chemistry · 2018-12-29

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  34. Investigation into the optimized growth, anisotropic properties and theoretical calculations of the polar material Cs 2 TeW 3 O 12

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  35. KBi(IO 3 ) 3 (OH) and NaBi(IO 3 ) 4 : from the centrosymmetric chain to a noncentrosymmetric double layer

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  36. Pb 7 F 12 Cl 2 : a promising infrared nonlinear optical material with high laser damage threshold

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  37. Sr[B(OH) 4 ](IO 3 ) and Li 4 Sr 5 [B 12 O 22 (OH) 4 ](IO 3 ) 2 : two unprecedented metal borate-iodates showing a subtle balance of enlarged band gap and birefringence

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  38. Crystallographic Investigations into the Polar Polymorphism of BaTeW2O9: Phase Transformation, Controlled Crystallization, and Linear and Nonlinear Optical Properties

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