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RESEARCH PAPER · Crystal Growth & Design · 2014

Na3Ba2(B3O6)2F: Next Generation of Deep-Ultraviolet Birefringent Materials

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Na3Ba2(B3O6)2F: Next Generation of Deep-Ultraviolet Birefringent MaterialsOriginalContribution of lone-pairs to birefringence affected by the Pb( ii ) coordination environment: a DFT investigation63Superhalogens beget superhalogens: a case study of (BO 2 ) n oligomers16Preparation, nonlinear optical properties, and theoretical analysis of the non-centrosymmetric bismuth oxyfluoride, Bi 7 F 11 O 525Large Birefringent Materials, Na6Te4W6O29 and Na2TeW2O9: Synthesis, Structure, Crystal Growth, and Characterization73An effective strategy to achieve deeper coherent light for LiB 3 O 529Elaboration of Nanofluorides and Ceramics for Optical and Laser Applications30Manipulation of birefringence via substitution of Sr 2+ by Pb 2+ based on the structure model of LiSr 1−x Pb x BO 3 (0 ≤ x ≤ 0.5)5Pb 2 Bi 2 GaB 3 O 11 , a new congruent-melting galloborate containing two types of asymmetric cations with a moderate birefringence6Design and Syntheses of Three Novel Carbonate Halides: Cs 3 Pb 2 (CO 3 ) 3 I, KBa 2 (CO 3 ) 2 F, and RbBa 2 (CO 3 ) 2 F29Density functional theory calculations, growth, structure, and optical properties of birefringent LiNaV2O69BiS 2 -Layer Gives Giant Birefringence: First-Principles Calculations0Top-Seeded Solution Crystal Growth, Morphology, Optical and Thermal Properties of Ba3(ZnB5O10)PO442Be2BO3F: A Phase of Beryllium Fluoride Borate Derived from KBe2BO3F2 with Short UV Absorption Edge46K5Ba10(BO3)8F: A New Potassium Barium Borate Fluoride with a Perovskite-Like Structure43Syntheses, characterization and theoretical studies of three apatite-type phosphates MPb4(PO4)3 (M = K, Rb, Cs)17Predicting Global Minimum in Complex Beryllium Borate System for Deep-ultraviolet Functional Optical Applications29SrNO3(OH)·H2O: A new member in strontium nitrate hydrate family with an ultraviolet cut-off edge7Ba n+2 Zn n (BO 3 ) n (B 2 O 5 )F n (n = 1, 2): new members of the zincoborate fluoride series with two kinds of isolated B–O units33Na2B6O9F2: A Fluoroborate with Short Cutoff Edge and Deep-Ultraviolet Birefringent Property Prepared by an Open High-Temperature Solution Method106Top-Seeded Solution Growth and Optical Properties of Deep-UV Birefringent Crystal Ba2Ca(B3O6)2168LiMCO 3 (M = K, Rb, Cs): a series of mixed alkali carbonates with large birefringence12Na 6 Si 3 S 8 O: the first example of a sulfide silicate exhibiting unusual tri-polymerized [Si 3 S 8 O] 6− units without S–O bonds8Origin of the optical anisotropy and the electronic structure of Ru-based double perovskite oxides: DFT and XPS studies16Bi3OF3(IO3)4: Metal Oxyiodate Fluoride Featuring a Carbon-Nanotube-like Topological Structure with Large Second Harmonic Generation Response120Crystal structure of the solid solution Ba8.35Pb0.65(B3O6)63Birefringence of the new fluoride borates Ba2Na3[B3O6]2F and Ba7(BO3)4−F2+3 in the Na, Ba, B//O, F quaternary reciprocal system4Synthesis, crystal structure, and properties of new lead barium borate with B 3 O 6 plane hexagonal rings2Na8MB21O36 (M = Rb and Cs): Noncentrosymmetric Borates with Unprecedented [B21O36]9– Fundamental Building Blocks36Chemistry-Inspired Adaptable Framework Structures368DFT-Based Comparative Study about the Influence of Fluorine and Hydroxyl Anions on Opto-Electric Properties of Borate Crystals: Choice for Better Anion13Design and Synthesis of a Series of Novel Mixed Borate and Carbonate Halides21Synthesis and characterization of a new beryllium-free deep-ultraviolet nonlinear optical material: Na2GdCO3F331Theoretical study on Pb2VO2F5: large birefringence derived from optical anisotropies of VO2F4 groups15K2[B3O3(OH)5]: A new deep-UV nonlinear optical crystal with isolated [B3O3(OH)5]2- anionic groups31Chemical Cosubstitution-Oriented Design of Rare-Earth Borates as Potential Ultraviolet Nonlinear Optical Materials268MBaYB 6 O 12 (M = Rb, Cs): two new rare-earth borates with large birefringence and short ultraviolet cutoff edges42Noncentrosymmetric Cubic Cyanurate K6Cd3(C3N3O3)4 Containing Isolated Planar π-Conjugated (C3N3O3)3– Groups59Ba 2 M(C 3 N 3 O 3 ) 2 (M = Mg, Ca): potential UV birefringent materials with strengthened optical anisotropy originating from the (C 3 N 3 O 3 ) 3− group84Ba 2 ZnSc(BO 3 ) 3 and Ba 4 Zn 5 Sc 2 (BO 3 ) 8 : first examples of borates in the Zn–Sc–B–O system featuring special structure configurations15BaBOF 3 : a new aurivillius-like borate containing two types of F atoms32BaLiZn 3 (BO 3 ) 3 : a new member of the KBe 2 BO 3 F 2 family possessing dense BO 3 triangles and the smallest interlayer distance16NH 4 B 11 O 16 (OH) 2 : a new ammonium borate with wavy-shaped polycyclic 2∞[B 11 O 16 (OH) 2 ] layers27Oxyhalides: prospecting ore for optical functional materials with large laser damage thresholds76The first lead fluorooxoborate PbB 5 O 8 F: achieving the coexistence of large birefringence and deep-ultraviolet cut-off edge76Pb8M(BO3)6 (M = Mg, Ca): Two new borates with large birefringence activated by the ∞[Pb8B6O18]2- double layers6Exploring Potential Beryllium-free, Deep-Ultraviolet Optical Crystals in the Rare Earth Fluoride Carbonate–Water System34From Sr2Nb2O7to CaxSr2–xNb2O7: An Effective Enhancement of Nonlinear Optical Activity by a Simple Way of Cation Substituting11Giant optical anisotropy in a quasi-one-dimensional crystal484Designing Deep‐UV Birefringent Crystals by Cation Regulation57Fluorooxoborates: Ushering in a New Era of Deep Ultraviolet Nonlinear Optical Materials102Ba3Mg3(BO3)3F3 polymorphs with reversible phase transition and high performances as ultraviolet nonlinear optical materials471The First Examples of Lithium‐Containing Mixed‐Alkali Strontium Borates with Different Dimensional Anionic Architectures and Short Cutoff Edges16NaCa4V5O17 with isolated V2O7 dimer and V3O10 trimer exhibiting a large birefringence19Li2BaSc(BO3)2F and LiBa2Pb(BO3)2F with Layered Structures featuring Special Li−O/F Configurations11Luminescent properties of new red emitting fluoborate based phosphors, Na3Ba2-B6O12F:xEu3+4Designing an Excellent Deep-Ultraviolet Birefringent Material for Light Polarization537BaB8O12F2: a promising deep-UV birefringent material60Ba3(C3N3O3)2: A New Phase of Barium Cyanurate Containing Parallel π-Conjugated Groups as a Birefringent Material Replacement for Calcite62A new barium fluorooxoborate BaB 5 O 8 F· x H 2 O with large birefringence and a wide UV transparency window25Ba 3 B 10 O 17 F 2 ·0.1KF: the first mixed alkali/alkaline-earth metal fluorooxoborate with unprecedented double-layered B–O/F anionic arrangement17Chloride carbodiimide K 12 Pb 51 (CN 2 ) 30 Cl 54 with an unprecedented 45 Å unit cell axis and a large birefringence7CO(NH 2 ) 2 ·NH 4 Cl: an ultraviolet birefringent material with conjugated CO groups16LiO 4 tetrahedra lock the alignment of π-conjugated layers to maximize optical anisotropy in metal hydroisocyanurates44RE(H 2 C 3 N 3 O 3 ) 2 ·(OH)· x H 2 O (RE = La, Y and Gd): potential UV birefringent materials with strong optical anisotropy originating from the (H 2 C 3 N 3 O 3 ) − group31Exploration of New Birefringent Crystals in Bismuth d0 Transition Metal Selenites35Rational Design via Synergistic Combination Leads to an Outstanding Deep-Ultraviolet Birefringent Li2Na2B2O5 Material with an Unvalued B2O5 Functional Gene284Heteroanionic Materials by Design: Progress Toward Targeted Properties236BaB 2 O 3 F 2 : A Barium Fluorooxoborate with a Unique [B 2 O 3 F] − Layer and Short Cutoff Edge38Parallel Alignment of π-Conjugated Anions in Hydroisocyanurates Enhancing Optical Anisotropy25Research and Development of Zincoborates: Crystal Growth, Structural Chemistry and Physicochemical Properties21Sn2B5O9Cl: 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 Tin33Rb3Na(H2C3N3O3)4·3H2O with Large Birefringence28Structural Diversity and Giant Birefringence in Cyanates BaCNOX (X = Cl, Br, I, and CNO) Containing Linear π-Conjugated Units: A Combined Experimental and Theoretical Study13Effect of anion dimensionality on optical properties: the ∞ [B 7 O 10 (OH) 2 ] layer in CsB 7 O 10 (OH) 2 vs. the ∞ [B 7 O 12 ] framework in CsBaB 7 O 1219(NH 4 ) 3 [B(OH) 3 ] 2 (COOH) 3 : a graphite-like UV nonlinear optical material with a large birefringence via structural optimization31[Al(H 2 O) 6 ](IO 3 ) 2 (NO 3 ): a material with enhanced birefringence induced by synergism of two superior functional motifs30Facile synthesis of cesium trithiocyanurate with high ionic conductivity and large birefringence properties17Large optical polarizability causing positive effects on the birefringence of planar-triangular BO 3 groups in ternary borates18Prediction of ternary fluorooxoborates with coplanar triangular units [BO x F 3−x ] x− from first-principles13RbB 3 O 4 F 2 : a rubidium fluorooxoborate with an unprecedented [B 3 O 5 F 2 ] 3− functionalized unit and a large birefringence37Second-order nonlinear optical materials with a benzene-like conjugated π system50Synthesis, characterization and crystal structure of a new mixed alkali and alkaline-earth metal borate Rb 9 Ba 24 (BO 3 ) 196Two New Ferroborates with Three‐Dimensional Framework and Wide Transmittance Window2Li4Ca2B8O16: A Borate with a Unique Fundamental Building Block and a Short Cutoff Edge14A(H3C3N3O3)(NO3) (A = K, Rb): Alkali-Metal Nitrate Isocyanurates with Strong Optical Anisotropy47A UV birefringent crystal: RbNH4(H2C3N3O3)2·2H2O14CsHgNO3Cl2: A New Nitrate UV Birefringent Material Exhibiting an Optimized Layered Structure49Experimental and Ab Initio Studies of Intrinsic Defects in “Antizeolite” Borates with a Ba12(BO3)66+ Framework and Their Influence on Properties16Cs3B3O3F6 with a Deep-Ultraviolet Cutoff Edge and a Suitable Birefringence as the Potential Zero-Order Waveplate Material31From Ag2Zr(IO3)6 to LaZr(IO3)5F2: A Case of Constructing Wide‐band‐gap Birefringent Materials through Chemical Cosubstitution12Series of Crystals with Giant Optical Anisotropy: A Targeted Strategic Research19Series of Crystals with Giant Optical Anisotropy: A Targeted Strategic Research139Two Mixed-Anion Units of [GeOSe3] and [GeO3S] Originating from Partial Isovalent Anion Substitution and Inducing Moderate Second Harmonic Generation Response and Large Birefringence55Ba 2 B 7 O 12 F with novel FBB [B 7 O 16 F] and deep-ultraviolet cut-off edge31Origin of ultra-wide IR transmission and ultra-large birefringence of mercurous halide series with one dimensional chain-like structure: An ab initio study15AB 11 O 16 (OH) 2 (A = K and Cs): interpenetrating 2D layers with large birefringence7Borates: A Rich Source for Optical Materials1097Synergism of multiple functional chromophores significantly enhancing the birefringence in layered non-centrosymmetric chalcohalides20The synthesis, characterization, and theoretical analysis of (NH 4 ) 3 PbCl 52A new rare-earth borate birefringent crystal with quasi-two-dimensional [BO 3 ] layers23An antimony( iii ) borate with large birefringence exhibiting unwonted [B 5 O 11 ] fundamental building blocks and dimeric [Sb 2 O 6 ] clusters26Barium fluoroiodate crystals with a large band gap and birefringence23BaTi(BO 3 ) 2 : an excellent birefringent material with highly coplanar isolated [BO 3 ] groups17BaZnBe 2 (BO 3 ) 2 F 2 : a novel zinc-beryllium borate with SBBO-type structure overcoming the polymorphism problem13From BaCl 2 to Ba(NO 3 )Cl: significantly enhanced birefringence derived from π-conjugated [NO 3 ]14Li 5 Cs(SO 4 ) 3 : a potential zero-order wave plate material with short deep-ultraviolet cutoff edge20Na 2 La 2 B 10 O 19 : a new lanthanum sodium borate with infinite 2D layer 2∞[B 10 O 19 ] 8− and moderate birefringence4Sn 14 O 11 Br 6 : a promising birefringent material with a [Sn 14 O 11 Br 6 ] layer26Zn(H 2 C 3 N 3 O 3 ) 2 ·3H 2 O: the first single- d 10 transition metal based ultraviolet hydroisocyanurate crystal with large birefringence18The First Positive Uniaxial Cyanurate Crystals Containing a Crown-like Anionic Group Arrangement and Strengthened Optical Anisotropy17Cyanurates consisting of intrinsic planar π-conjugated 6-membered rings: An emerging source of optical functional materials111Na2Rb2SrB18O30 with [B9O19]11− fundamental building block consisting of three [B3O7]5− groups5AZn4(OH)4(C3N3O3)2 (A = Mg, Zn): Two Zn-Based Cyanurate Crystals with Various Cation Coordination and Large Birefringence22Li3La2(BO3)3 and Li1.75Na1.25La2(BO3)3: A Great Enhancement in Birefringence Induced by Optimal Arrangement of π-Conjugated [BO3] Units28Enhancement of band gap and birefringence induced via π -conjugated chromophore with “tail effect”29Synthesis and Characterization of New-Type Ionic Cocrystals with Cyanuric Acid and Alkali Halides: AX·(H3C3N3O3)2 (A = Rb, Cs; X = Cl, Br)6CsCu 3 SbS 4 : rational design of a two-dimensional layered material with giant birefringence derived from Cu 3 SbS 442Na+/Ag+ substitution induced birefringence enhancement from AgGaS2 to NaGaS218Hierarchical Modulation of Optical Anisotropy Driven by Metal Cation Polyhedra in Fluorooxoborates MIIB4O6F2 (MII=Be, Mg, Pb, Zn, Cd)6( R )- and ( S )-[C 8 H 10 NO 3 ] 2 [NbOF 5 ]: noncentrosymmetric niobium oxyfluorides with large optical anisotropy3Inducing large birefringence by enhancing asymmetric electron distribution of Y–O polyhedra22KF·B(OH) 3 : a KBBF-type material with large birefringence and remarkable deep-ultraviolet transparency33Molecular Engineering Design of the First Sr2Be2B2O7-type Fluoride Carbonates AMgLi2(CO3)2F (A=K, Rb) as Deep-Ultraviolet Birefringent Crystal※1Na 2 SrB 16 O 26 : a new borate with independent interpenetrating B–O networks and deep-ultraviolet cutoff edge4Review of Heteroleptic Tetrahedra as Birefringent or Nonlinear Optical Motifs17Driving Nonlinear Optical Activity with Dipolar 2-Aminopyrimidinium Cations in (C4H6N3)+(H2PO3)−115Potential optical functional crystals with large birefringence: Recent advances and future prospects323LiB5O5F2(OH)4: A new deep-ultraviolet birefringent crystal with [B5O5F2(OH)4] anionic group27Maximizing the linear and nonlinear optical responses of alkaline tricyanomelaminate28Promising Deep‐Ultraviolet Birefringent Materials via Rational Design and Assembly of Planar π‐Conjugated [B(OH)3] and [B3O3(OH)3] Functional Species6Promising Deep‐Ultraviolet Birefringent Materials via Rational Design and Assembly of Planar π‐Conjugated [B(OH)3] and [B3O3(OH)3] Functional Species82Realization of Enlarged Birefringence from BaCdBe2(BO3)2F2 to NaMgBe2(BO3)2F via the Cation Size Effect as a Potential Deep-Ultraviolet Birefringent Material18An Optically Anisotropic Crystal with Large Birefringence Arising from Cooperative π Orbitals81An Optically Anisotropic Crystal with Large Birefringence Arising from Cooperative π Orbitals22An excellent deep-ultraviolet birefringent material based on [BO2]∞ infinite chains186Crystal Growth of K2HCO3F·H2O with a Very Short Cutoff Edge and Large Birefringence16Growth, Structure, and Optical Properties of a Nonlinear Optical Niobium Borate Crystal CsNbOB2O5 with Distorted NbO5 Square Pyramids13Li0.5Na0.5AlB2O4F2: Fluoroaluminoborate with Aligned 1∞[BO2] Chain Induced by Unprecedented [AlO3F3]6− Species Features Enhanced Birefringence29Dramatically improved optical anisotropy by realizing stereochemically active lone pairs in a sulfate system, K 2 SO 4 ·HIO 323KRb 2 (NO 3 ) 2 Cl: a new birefringent crystal exhibiting a perovskite-related framework and a short cutoff edge6Shedding light on intrinsic characteristics and optical properties of novel selenite and tellurite crystals ZrSe 2 O 6 , HfSe 2 O 6 and HfTe 3 O 87Synthesis and characterization of a new rare earth borate nonlinear optical crystal K 7 PbLu 2 B 15 O 308Structural Motif Cosubstitution Strategy for Designing Fluoroaluminoborate with the Sr2Be2B2O7-Type Double-Layered Structure14Recent Development of Sn II , Sb III ‐based Birefringent Material: Crystal Chemistry and Investigation of Birefringence129Recent Development of SnII, SbIII‐based Birefringent Material: Crystal Chemistry and Investigation of Birefringence6Cs 2 Mg(H 2 C 3 N 3 S 3 ) 4 ·8H 2 O: An Excellent Birefringent Material with Giant Optical Anisotropy in π-Conjugated Trithiocyanurate19Introduction of the [B–O/F] Units Enhances the Band Gap and Birefringence from Na6Mg3B10O18F6 to K3NaB10O16F211Nonlinear optical inorganic sulfates: The improvement of the phase matching ability driven by the structural modulation41Experimental and ab initio study of Ba2Na3(B3O6)2F stability in the pressure range of 0–10 GPa4

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  36. MBaYB 6 O 12 (M = Rb, Cs): two new rare-earth borates with large birefringence and short ultraviolet cutoff edges

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  37. Noncentrosymmetric Cubic Cyanurate K6Cd3(C3N3O3)4 Containing Isolated Planar π-Conjugated (C3N3O3)3– Groups

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  38. Ba 2 M(C 3 N 3 O 3 ) 2 (M = Mg, Ca): potential UV birefringent materials with strengthened optical anisotropy originating from the (C 3 N 3 O 3 ) 3− group

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  39. Ba 2 ZnSc(BO 3 ) 3 and Ba 4 Zn 5 Sc 2 (BO 3 ) 8 : first examples of borates in the Zn–Sc–B–O system featuring special structure configurations

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  40. BaBOF 3 : a new aurivillius-like borate containing two types of F atoms

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  41. BaLiZn 3 (BO 3 ) 3 : a new member of the KBe 2 BO 3 F 2 family possessing dense BO 3 triangles and the smallest interlayer distance

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  42. NH 4 B 11 O 16 (OH) 2 : a new ammonium borate with wavy-shaped polycyclic 2∞[B 11 O 16 (OH) 2 ] layers

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  43. Oxyhalides: prospecting ore for optical functional materials with large laser damage thresholds

    Journal of Materials Chemistry C · 2018-01-01

    Zhihua Yang, Cong Hu, Miriding Mutailipu, Yanzhou Sun, Kui Wu, Min Zhang, Shilie Pan

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  44. 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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  45. Pb8M(BO3)6 (M = Mg, Ca): Two new borates with large birefringence activated by the ∞[Pb8B6O18]2- double layers

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  46. Exploring Potential Beryllium-free, Deep-Ultraviolet Optical Crystals in the Rare Earth Fluoride Carbonate–Water System

    Crystal Growth & Design · 2018-05-20

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  47. From Sr2Nb2O7to CaxSr2–xNb2O7: An Effective Enhancement of Nonlinear Optical Activity by a Simple Way of Cation Substituting

    Crystal Growth & Design · 2018-05-25

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  48. Giant optical anisotropy in a quasi-one-dimensional crystal

    Nature Photonics · 2018-06-15

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  49. Designing Deep‐UV Birefringent Crystals by Cation Regulation

    Chemistry - A European Journal · 2018-06-25

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  50. Fluorooxoborates: Ushering in a New Era of Deep Ultraviolet Nonlinear Optical Materials

    Chemistry - A European Journal · 2018-07-19

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