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RESEARCH PAPER · Chemistry - A European Journal · 2017

The First Alkaline‐Earth Fluorooxoborate Ba[B4O6F2]—Characterisation and Doping with Eu2+

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The First Alkaline‐Earth Fluorooxoborate Ba[B4O6F2]—Characterisation and Doping with Eu2+OriginalBa 3 B 10 O 17 Br 2 : a new barium borate halide with B–O layered structure4BaBOF 3 : a new aurivillius-like borate containing two types of F atoms32The first lead fluorooxoborate PbB 5 O 8 F: achieving the coexistence of large birefringence and deep-ultraviolet cut-off edge75K3B6O9F3: A New Fluorooxoborate with Four Different Anionic Units42SrB 5 O 7 F 3 Functionalized with [B 5 O 9 F 3 ] 6− Chromophores: Accelerating the Rational Design of Deep‐Ultraviolet Nonlinear Optical Materials738SrB5O7F3 Functionalized with [B5O9F3]6− Chromophores: Accelerating the Rational Design of Deep‐Ultraviolet Nonlinear Optical Materials116M2B10O14F6 (M = Ca, Sr): Two Noncentrosymmetric Alkaline Earth Fluorooxoborates as Promising Next-Generation Deep-Ultraviolet Nonlinear Optical Materials356CaB5O7F3: A Beryllium-Free Alkaline-Earth Fluorooxoborate Exhibiting Excellent Nonlinear Optical Performances192Polar Fluorooxoborate, NaB4O6F: A Promising Material for Ionic Conduction and Nonlinear Optics494Polar Fluorooxoborate, NaB4O6F: A Promising Material for Ionic Conduction and Nonlinear Optics67A Fluorooxosilicophosphate with an Unprecedented SiO2F4 Species56A Fluorooxosilicophosphate with an Unprecedented SiO2F4 Species5Designing Deep‐UV Birefringent Crystals by Cation Regulation57Sn[B2O3F2]—The First Tin Fluorooxoborate as Possible NLO Material102Synthesis and Characterization of the First Borosulfates of Magnesium, Manganese, Cobalt, Nickel, and Zinc41Fluorooxoborates: 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 materials470Crystalline orthorhombic Ln[CO3][OH] (Ln=La, Pr, Nd, Sm, Eu, Gd) compounds hydrothermally synthesised with CO2 from air as carbonate source18BaB8O12F2: a promising deep-UV birefringent material60A 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 arrangement17From 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 crystals26RE 2 [B 2 (SO 4 ) 6 ] ( RE = Y, La–Nd, Sm, Eu, Tb–Lu): a silicate-analogous host structure with weak coordination behaviour45The first lithium difluorophosphate LiPO 2 F 2 with a neutral polytetrahedral microporous architecture35The very first normal-pressure tin borate Sn 3 B 4 O 9 , and the intermediate Sn 2 [B 7 O 12 ]F12Synthesis, spectroscopic properties and applications of divalent lanthanides apart from Eu2+108Designing Three Fluorooxoborates with a Wide Transmittance Window by Anionic Group Substitution15BaB 2 O 3 F 2 : A Barium Fluorooxoborate with a Unique [B 2 O 3 F] − Layer and Short Cutoff Edge38β‐CsB9O14: A Triple‐Layered Borate with Edge‐Sharing BO4 Tetrahedra Exhibiting a Short Cutoff Edge and a Large Birefringence30Synthesis and investigation of orange-emitting Eu2+ doped Ba4Li2B10O20 phosphor4Cation Modulation on the Crystal Structure and Band Gap of Fluorooxoborates A3B3O3F6 (A = Alkali and Mixed Alkali Metal)17Emergent Deep‐Ultraviolet Nonlinear Optical Candidates324Neue Kandidaten für die nichtlineare Optik im Tief‐UV‐Bereich43Ba 6 BO 3 Cl 9 and Pb 6 BO 4 Cl 7 : structural insights into ortho -borates with uncondensed BO 4 tetrahedra10Ba(B 2 OF 3 (OH) 2 ) 2 with well-ordered OH/F anions and a unique B 2 OF 3 (OH) 2 dimer30Huge enhancement of Sm 2+ emission via Eu 2+ energy transfer in a SrB 4 O 7 pressure sensor50On the phosphors Na 5 M(WO 4 ) 4 (M = Y, La–Nd, Sm–Lu, Bi) – crystal structures, thermal decomposition, and optical and magnetic properties39Rb 3 BaTeB 7 O 15 : a novel [B 7 O 16 ] fundamental building block in a new telluroborate with [TeO 3 ] polyhedra11The UV-phosphor strontium fluorooxoborate Sr[B5O7F3]:Eu10Enhanced nonlinear optical functionality in birefringence and refractive index dispersion of the deep-ultraviolet fluorooxoborates123Single-Crystal 31P and 7Li NMR of the Ionic Conductor LiH2PO43Crystal Chemical Design of Functional Fluoride Borates with “Antizeolite” Structure12New Alkaline-Earth Metal Fluoroiodates Exhibiting Large Birefringence and Short Ultraviolet Cutoff Edge with Highly Polarizable (IO 3 F) 2– Units63Borate Hydrides as a New Material Class: Structure, Computational Studies, and Spectroscopic Investigations on Sr5(BO3)3H and Sr5(11BO3)3D19Sr6(BO3)3BN2: An Oxido–Nitrido–Borate Phosphor Featuring BN2 Dumbbells10Ba 2 B 7 O 12 F with novel FBB [B 7 O 16 F] and deep-ultraviolet cut-off edge31Sr[B2(SO4)3(S2O7)]: A Borosulfate with an Unprecedented Chain Structure Comprising Disulfate Groups18Borates: A Rich Source for Optical Materials1089BaB 4 O 5 F 4 with reversible phase transition featuring unprecedented fundamental building blocks of [B 16 O 21 F 16 ] in the α -phase and [B 4 O 6 F 4 ] in the β -phase19Computationally assisted multistage design and prediction driving the discovery of deep-ultraviolet nonlinear optical materials41RbMT3(BO3)2O3 (M=Ba, Sr; T=Al, Ga): New Double‐Layered Oxyborates Constructed from [BO3] Triangles and [TO4] Tetrahedra13Discovery 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 Application18Cs4B4O3F10: First Fluorooxoborate with [BF4] Involving Heteroanionic Units and Extremely Low Melting Point18Fluorine‐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 Incorporation50Tetrafluoroborate-Monofluorophosphate (NH4)3[PO3F][BF4]: First Member of Oxyfluoride with B–F and P–F Bonds16Finding a Series of BaBOF3 Fluorooxoborate Polymorphs with Tunable Symmetries: A Simple but Flexible Case37From β‐Na2B6O10 to Na3AlB8O15 and Na3Al2B7O15: Structural Tuning of Anionic‐Group Architectures by Substitution of [BO4] by [AlO4] Covalent Tetrahedra10K3BaTeB7O15: A new borotellurite with mixed metal cations5Guanidinium Fluorooxoborates as Efficient Metal-free Short-Wavelength Nonlinear Optical Crystals140Hierarchical Modulation of Optical Anisotropy Driven by Metal Cation Polyhedra in Fluorooxoborates MIIB4O6F2 (MII=Be, Mg, Pb, Zn, Cd)6[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 units85A 2 B 6 O 9 F 2 (A = NH 4 , K): new members of A 2 B 6 O 9 F 2 family with deep-UV cutoff edges and moderate birefringence17Ba 10 LuB 18 O 32 F 13 : the first example of borate in the Lu–B–O–F system with the unprecedented FBB [B 9 O 22 ]12CsAB 8 O 12 F 2 ·CsI (A = K + , NH 4 + ): design of two fluorooxoborates with benign layered structures via a salt-inclusion strategy28Na 2 SrB 16 O 26 : a new borate with independent interpenetrating B–O networks and deep-ultraviolet cutoff edge4Variable dimensionality of the anion framework in four new borophosphates and fluoroborophosphates with short cutoff edges13MM′B3O4F3 (M = K; M′ = Na, K, Cs): Alkali-Metal Fluorooxoborates with ∞1[B3O4F3] Chains and Deep-Ultraviolet Cutoff Edges12LiB5O5F2(OH)4: A new deep-ultraviolet birefringent crystal with [B5O5F2(OH)4] anionic group28Double‐Modification Oriented Design of a Deep‐UV Birefringent Crystal Functionalized by [B12O16F4(OH)4] Clusters9Double‐Modification Oriented Design of a Deep‐UV Birefringent Crystal Functionalized by [B12O16F4(OH)4] Clusters139Rearrangement of [B2O5] Dimers within [B7O14] Clusters Enables Enhanced Optical Anisotropy in Li3Cs6Al2B14O28F4NaB3O4F(OH): A Hydroxyfluorooxoborate with One-Dimensional Chain Featuring Large Birefringence and Short Ultraviolet Cutoff Edge5Decentering the Symmetry via Docking B and F in the KBe2BO3F2-Family Structure0On New Alkaline‐Earth Hexafluorogermanates as Host Structures for UV Phosphors0Discovery of SrZn 2 B 6 O 12 with an unprecedented quadruple-layered configuration0SYNTHESIS AND CRYSTAL STRUCTURE OF TWO NEW TETRAFLUOROBORATE CRYSTALLOHYDRATES M(BF4)2·3H2O, M = Sr, Ba2Fluorooxoborate Promoting the Exploration of Short-Wavelength Linear and Nonlinear Optical Crystals with Expected Properties and Versatile Structures27Fluorination Strategy Towards Symmetry Breaking of Boron‐centered Tetrahedron for Poly‐fluorinated Optical Crystals15Fluorination Strategy Towards Symmetry Breaking of Boron‐centered Tetrahedron for Poly‐fluorinated Optical Crystals70Two Hydroxyfluorooxoborates Achieving Deep‐Ultraviolet Cutoff Edges and Moderate Birefringence by Assembling Multi‐Anionic Groups6Review on birefringence in borates based on birefringence-active functional groups and arrangements57[B3O3F4(OH)]2–: A Versatile Hydroxyfluorooxoborate Heteroanion Producing Compounds with Highly Tunable Optical Anisotropy19Prediction of New Functional Fluorooxoborates with Expected Anionic Framework: A Case of CaB3O5F4Three Cases of Borates with Different Dimensional Frameworks Induced by Metal Cations1[CON3H6BF4]: An Efficient Metal‐Free Borate with Optimized Birefringence Achieved by Structural Design Strategy15Divalent Europium-containing colloidal metal halide nanocrystals for light-emitting applications7Computational design of new DUV NLO fluorooxoborates with [BO 3 ] : [BO 3 F] = 2 : 1 via an anionic framework dimensionality-fixed strategy0On New Alkaline Sulfatometallates: Cs 6 [(WO 2 ) 2 O(SO 4 ) 4 ], K 8 [(MoO 2 ) 2 (SO 4 ) 6 ], K 7.9 Sr 0.1 [(WO 2 ) 2 (SO 4 ) 6 ] and Na 4 [MoO 2 (SO 4 ) 3 ]0Topology-symmetry analysis and structure prediction in nonlinear optical AB4O6F (A = Na, K, Rb, Cs, NH4) and AAlB3O6F (A = K, Rb, Cs) polytypes1First-principles study of Ba3B2O3F6 fluorooxoborate: From structural prediction to physical properties under high pressure0BaF 2 –B 2 O 3 Fluorooxoborates: Insights into Electronic Structure, Mechanical Properties, and High-Pressure Stability0

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  1. Ba 3 B 10 O 17 Br 2 : a new barium borate halide with B–O layered structure

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

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  3. 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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  4. K3B6O9F3: A New Fluorooxoborate with Four Different Anionic Units

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  5. SrB 5 O 7 F 3 Functionalized with [B 5 O 9 F 3 ] 6− Chromophores: Accelerating the Rational Design of Deep‐Ultraviolet Nonlinear Optical Materials

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  6. SrB5O7F3 Functionalized with [B5O9F3]6− Chromophores: Accelerating the Rational Design of Deep‐Ultraviolet Nonlinear Optical Materials

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  7. M2B10O14F6 (M = Ca, Sr): Two Noncentrosymmetric Alkaline Earth Fluorooxoborates as Promising Next-Generation Deep-Ultraviolet Nonlinear Optical Materials

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  8. CaB5O7F3: A Beryllium-Free Alkaline-Earth Fluorooxoborate Exhibiting Excellent Nonlinear Optical Performances

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  9. Polar Fluorooxoborate, NaB4O6F: A Promising Material for Ionic Conduction and Nonlinear Optics

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  10. Polar Fluorooxoborate, NaB4O6F: A Promising Material for Ionic Conduction and Nonlinear Optics

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  11. A Fluorooxosilicophosphate with an Unprecedented SiO2F4 Species

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  12. A Fluorooxosilicophosphate with an Unprecedented SiO2F4 Species

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  13. Designing Deep‐UV Birefringent Crystals by Cation Regulation

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  14. Sn[B2O3F2]—The First Tin Fluorooxoborate as Possible NLO Material

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  15. Synthesis and Characterization of the First Borosulfates of Magnesium, Manganese, Cobalt, Nickel, and Zinc

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

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  17. Ba3Mg3(BO3)3F3 polymorphs with reversible phase transition and high performances as ultraviolet nonlinear optical materials

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  18. Crystalline orthorhombic Ln[CO3][OH] (Ln=La, Pr, Nd, Sm, Eu, Gd) compounds hydrothermally synthesised with CO2 from air as carbonate source

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  19. BaB8O12F2: a promising deep-UV birefringent material

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  20. A new barium fluorooxoborate BaB 5 O 8 F· x H 2 O with large birefringence and a wide UV transparency window

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  21. Ba 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 arrangement

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  22. 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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  23. RE 2 [B 2 (SO 4 ) 6 ] ( RE = Y, La–Nd, Sm, Eu, Tb–Lu): a silicate-analogous host structure with weak coordination behaviour

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  24. The first lithium difluorophosphate LiPO 2 F 2 with a neutral polytetrahedral microporous architecture

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  25. The very first normal-pressure tin borate Sn 3 B 4 O 9 , and the intermediate Sn 2 [B 7 O 12 ]F

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  26. Synthesis, spectroscopic properties and applications of divalent lanthanides apart from Eu2+

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  29. β‐CsB9O14: A Triple‐Layered Borate with Edge‐Sharing BO4 Tetrahedra Exhibiting a Short Cutoff Edge and a Large Birefringence

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  31. Cation Modulation on the Crystal Structure and Band Gap of Fluorooxoborates A3B3O3F6 (A = Alkali and Mixed Alkali Metal)

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  33. Neue Kandidaten für die nichtlineare Optik im Tief‐UV‐Bereich

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  34. Ba 6 BO 3 Cl 9 and Pb 6 BO 4 Cl 7 : structural insights into ortho -borates with uncondensed BO 4 tetrahedra

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  35. Ba(B 2 OF 3 (OH) 2 ) 2 with well-ordered OH/F anions and a unique B 2 OF 3 (OH) 2 dimer

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  36. Huge enhancement of Sm 2+ emission via Eu 2+ energy transfer in a SrB 4 O 7 pressure sensor

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  37. On the phosphors Na 5 M(WO 4 ) 4 (M = Y, La–Nd, Sm–Lu, Bi) – crystal structures, thermal decomposition, and optical and magnetic properties

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  38. Rb 3 BaTeB 7 O 15 : a novel [B 7 O 16 ] fundamental building block in a new telluroborate with [TeO 3 ] polyhedra

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  39. The UV-phosphor strontium fluorooxoborate Sr[B5O7F3]:Eu

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  41. Single-Crystal 31P and 7Li NMR of the Ionic Conductor LiH2PO4

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  42. Crystal Chemical Design of Functional Fluoride Borates with “Antizeolite” Structure

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  43. 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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  46. Ba 2 B 7 O 12 F with novel FBB [B 7 O 16 F] and deep-ultraviolet cut-off edge

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  47. Sr[B2(SO4)3(S2O7)]: A Borosulfate with an Unprecedented Chain Structure Comprising Disulfate Groups

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  48. Borates: A Rich Source for Optical Materials

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  49. BaB 4 O 5 F 4 with reversible phase transition featuring unprecedented fundamental building blocks of [B 16 O 21 F 16 ] in the α -phase and [B 4 O 6 F 4 ] in the β -phase

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  50. Computationally assisted multistage design and prediction driving the discovery of deep-ultraviolet nonlinear optical materials

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