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RESEARCH PAPER · Chemistry - A European Journal · 2018

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

Guopeng Han, Ying Wang, Bingbing Zhang, Shilie Pan

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Fluorooxoborates: Ushering in a New Era of Deep Ultraviolet Nonlinear Optical MaterialsOriginalBaB8O12F2: 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 window25Ag 7 TaSe 6 : a new noncentrosymmetric selenide with fascinating “three in one” coordination modes and a strong second harmonic generation response13Ba 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 arrangement17Ba 3 Ca 4 (BO 3 ) 3 (SiO 4 )Cl: a new non-centrosymmetric complex alkaline-earth metal borosilicate chloride with a deep-ultraviolet cut-off edge19Cs 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 activity19Exploration of the deep-ultraviolet nonlinear optical materials in the derivatives of KBe2BO3F27From 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 crystals26Li 2 Na 2 [B 12 O 19 (OH) 2 ]: a new open framework borate with a pcu-type net constructed from large cyclic dodeca-oxoboron units8Mg(H 2 O) 6 B 4 O 5 (OH) 4 (H 2 O) 3 : a new hydrated borate with a short DUV cutoff edge9Sr[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 birefringence34The first lithium difluorophosphate LiPO 2 F 2 with a neutral polytetrahedral microporous architecture35Abrupt Structural Transformation in Asymmetric ABPO4F (A = K, Rb, Cs)21Optical and Magnetic Properties of Cu-Containing Borates with “Antizeolite” Structure11Ba4M(CO3)2(BO3)2 (M=Ba, Sr): two borate-carbonates synthesized by open high temperature solution method29Designing 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 Birefringence30Centrosymmetric Rb2Mg3(SO4)4 and non-centrosymmetric Cs2Mg3(SO4)4 with a phase-matching nonlinear optical response35Nitrate nonlinear optical crystals: A survey on structure-performance relationships146Cation Modulation on the Crystal Structure and Band Gap of Fluorooxoborates A3B3O3F6 (A = Alkali and Mixed Alkali Metal)17CsAlB 3 O 6 F: a beryllium-free deep-ultraviolet nonlinear optical material with enhanced thermal stability153Emergent Deep‐Ultraviolet Nonlinear Optical Candidates324Neue Kandidaten für die nichtlineare Optik im Tief‐UV‐Bereich43Ba(B 2 OF 3 (OH) 2 ) 2 with well-ordered OH/F anions and a unique B 2 OF 3 (OH) 2 dimer30From BaAl 2 (BO 3 ) 2 O to SnAl 2 (BO 3 ) 2 F 2 : structure transformation based on ion regulation3Inorganic planar π-conjugated groups in nonlinear optical crystals: review and outlook145Large optical polarizability causing positive effects on the birefringence of planar-triangular BO 3 groups in ternary borates18Na 3 Sc 2 (PO 4 ) 2 F 3 : rational design and synthesis of an alkali rare-earth phosphate fluoride as an ultraviolet nonlinear optical crystal with an enlarged birefringence49Nd3+ and Pr3+ doped anti-zeolite matrix-LiBa12(BO3)7F4: Crystal structures, luminescence properties11RbB 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 system49KNiB4O6F3: A Layered Fluorooxoborate with Charge‐Oriented Ordering18A Promising Fluorooxoborate Framework with Flexibile Capability for Diverse Cations to Enhance the Second Harmonic Generation14Synthesis, Crystal Structure, and Characterization of a Noncentrosymmetric Sulfate Cs2Ca2(SO4)320Alignment of Polar Moieties Leading to Strong Second Harmonic Response in KCsMoP2O951Synthesis, characterizations and theoretical analysis of a noncentrosymmetric sulfate8Crystal 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– Units63Structure-property survey and computer-assisted screening of mid-infrared nonlinear optical chalcohalides113Chalcophosphates: A Treasure House of Infrared Nonlinear Optical Materials75Borates: A Rich Source for Optical Materials1089Na 2 La 2 B 10 O 19 : a new lanthanum sodium borate with infinite 2D layer 2∞[B 10 O 19 ] 8− and moderate birefringence4NaKB 6 O 9 F 2 : a new complex alkali metal fluorooxoborate with puckered layers10Recent advances of oxyfluorides for nonlinear optical applications69To improve the key properties of nonlinear optical crystals assembled with tetrahedral functional building units46Na 6 MQ 4 (M=Zn, Cd; Q=S, Se): Promising New Ternary Infrared Nonlinear Optical Materials24A2(TeO)P2O7 (A = K, Rb, Cs): Three new tellurite-pyrophosphates with large birefringence17M3B6O10NO3 (M = K, Rb): Two New Alkali Metal Borate‐Nitrates with Noncentrosymmetric Structures20Prediction of Novel van der Waals Boron Oxides with Superior Deep‐Ultraviolet Nonlinear Optical Performance43Prediction of Novel van der Waals Boron Oxides with Superior Deep‐Ultraviolet Nonlinear Optical Performance6Fluorine‐Driven Enhancement of Birefringence in the Fluorooxosulfate: A Deep Evaluation from a Joint Experimental and Computational Study139Exploring Deep-UV Nonlinear Optical Materials with Enhanced Second Harmonic Generation Response and Birefringence in Fluoroaluminoborate Crystals69SrAlB3O6F2: A Fluoroaluminoborate with [Al2B6O14F4] Units and Large Birefringence22NaRbB3O4F3: A New Fluorooxoborate with a Short UV Cutoff Edge Enriching the Structural Chemistry of Borate7K2Na3[{B6O10(OH)}{B3O4(OH)3}] ⋅ H2O: A Layered Borate Built by Mixed Oxoboron Clusters with Nonlinear‐Optical Property20(N 2 H 6 )[HPO 3 F] 2 : maximizing the optical anisotropy of deep-ultraviolet fluorophosphates33A 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 birefringence17CsAB 8 O 12 F 2 ·CsI (A = K + , NH 4 + ): design of two fluorooxoborates with benign layered structures via a salt-inclusion strategy28Metal oxyhalides: an emerging family of nonlinear optical materials124First-principles study of the influence of lone pair electrons and molecular groups on the birefringence of phosphate and fluorophosphate13A new salt-inclusion compound, |Ag4Br|@[B7O12], with a novel type of the porous double-layered borate anion and strong anharmonicity of the “guest” sublattice11MM′B3O4F3 (M = K; M′ = Na, K, Cs): Alkali-Metal Fluorooxoborates with ∞1[B3O4F3] Chains and Deep-Ultraviolet Cutoff Edges12Advances in second-order nonlinear optical sulfates38Inorganic nonlinear optical materials7Ba2B10O16(OH)2·(H3BO3)(H2O): A Possible Deep-Ultraviolet Nonlinear-Optical Barium Borate36Balance of Deep-Ultraviolet Transparency and Large Second Harmonic Generation Response in a Silicate Crystal9Small Organic Molecular-Based Hybrid Halides with High Photoluminescence Quenching Temperature33Synthesis, crystal structure, and characterization of two bismuth phosphates Rb2CaBi2P4O15 and Rb3SrBiP4O143Anisotropic structure building unit involving diverse chemical bonds: a new opportunity for high-performance second-order NLO materials181Li2AB5O8F2 (A = Na and K): two new deep-ultraviolet transparent fluorooxoborates with moderate birefringence designed by targeted dimensional modulation7Recent advances of inorganic phosphates with UV/DUV cutoff edge and large second harmonic response7Na2BaB12O18F4: A Mixed Alkali/Alkaline-Earth Metal Fluorooxoborate with Two Unprecedented Interpenetrating Three-Dimensional B–O/F Anionic Networks and a Short Ultraviolet Cutoff Edge9KHC 2 O 4 · B ( OH ) 3 : A nonlinear optical crystal with large birefringence in the short‐wavelength ultraviolet region9Nonlinear optical inorganic sulfates: The improvement of the phase matching ability driven by the structural modulation41Three Borates Belonging to the A(I)7Ae(II)Re(III)2B15O30 Family as Promising Nonlinear Optical Crystals12Advances in Solid-State Nonlinear Optical Materials: From Fundamentals to Applications61K 2 RbB 8 PO 16 : A Borophosphate with Moderate Birefringence and Deep-Ultraviolet Transmission10Fluorination strategy toward chemical and functional modification65Nh4ca[B5o7(Oh)4]·H2o: A Biaxial Mixed-Cation Pentaborate with Moderate Birefringence0β -CsHg 2 I 5 , a compound with rare [Hg 2 I 5 ] dimers and large optical anisotropy2A perspective on deep-ultraviolet nonlinear optical materials13Up-Conversion Luminescence in TbAl3(BO3)4: Yb3+ Syntesized by Solution Combustion Method2NLOphoric Anthraquinone Dyes – A Review11NH4Y(SO4)2·H2O and NH4YSO4F2: Two New Ammonium‐Rare Earth Metal Sulfates with Enhanced Optical Anisotropy and Deep Ultraviolet Transmission3Luminescence Properties of Solid-Solutions in Sr3B2O6–YbBO3 System1NH 4 Ca[B 5 O 7 (OH) 4 ] H 2 O: A Biaxial Mixed‐Cation Pentaborate with Moderate Birefringence0CsBO(OH) 2 : a new hydroxyborate with the rare [BO(OH) 2 ] group and a deep ultraviolet cutoff edge3Expanding silver fluorooxoborate crystal chemistry: Ag 2 B 5 O 8 F with 3D double interpenetrating frameworks and Ag 3 B 5 O 8 F 2 with 2D layers5Review of KBe2BO3F2-like second-order nonlinear optical materials and their structure-performance relationships13Non-equivalent terminating roles of hydroxyl and fluorine in hydroxy/fluorooxo-borate optical functional materials2Borosilicates as deep-ultraviolet transparent nonlinear optical crystals: Structural motifs, performance limits and future directions9Ba2CrIO3F6: a magnetic alkaline-earth chromium fluoroiodate with ferromagnetic exchange interactions1Constructing Deep‐Ultraviolet Nonlinear Optical Crystals via Synergistic Combination of Fluorinated Polyhedra and Polymerized BO 3 Units15Insights into high-pressure stability, vibrational and mechanical characteristics of Ba5(BO3)3F2LiK4B(SO4)4: a potential optical crystal for deep ultraviolet zero-order waveplates1KNa2(Hf,Zr)F7 and KNa2HfF7: isostructural fluorides with phase-matchable second-harmonic generation0F−/OH− terminal modification of [B3O6] clusters: Constructing deep-ultraviolet hydroxyfluorooxoborates with tunable optical performance0First-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 Stability0Hydrothermal growth, structural and optical properties of large-sized Cs2SiF6 single crystals as promising DUV optical window materials0Fluorination‐Driven Molecular Polarization Engineering in Hydroxyfluorooxoborates for Generating Strong Short‐Wavelength Nonlinear Optical Responses0

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  1. BaB8O12F2: a promising deep-UV birefringent material

    Inorganic Chemistry Frontiers · 2018-12-25

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

    Dalton Transactions · 2019-01-01

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  3. Ag 7 TaSe 6 : a new noncentrosymmetric selenide with fascinating “three in one” coordination modes and a strong second harmonic generation response

    Journal of Materials Chemistry C · 2019-01-01

    Zhuang Li, Shengzi Zhang, Wenlong Yin, Kaijin Kang, Yangwu Guo, Wenhao Xing, Zheshuai Lin, Jiyong Yao, Yicheng Wu

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  4. 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

    Chemical Communications · 2019-01-01

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  5. Ba 3 Ca 4 (BO 3 ) 3 (SiO 4 )Cl: a new non-centrosymmetric complex alkaline-earth metal borosilicate chloride with a deep-ultraviolet cut-off edge

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    Zixiu Lu, Fangfang Zhang, Abudukadi Tudi, Sujuan Yu, Zhihua Yang, Shilie Pan

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  6. Cs 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 activity

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    Yanjun Li, Dan Zhang, Lili Liu, Weiguo Zhang, Jiang Zhang, Ye Cong, Xuanke Li, P. Shiv Halasyamani

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  7. Exploration of the deep-ultraviolet nonlinear optical materials in the derivatives of KBe2BO3F2

    Acta Physica Sinica · 2019-01-01

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  8. 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

    Inorganic Chemistry Frontiers · 2019-01-01

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  9. Li 2 Na 2 [B 12 O 19 (OH) 2 ]: a new open framework borate with a pcu-type net constructed from large cyclic dodeca-oxoboron units

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  10. Mg(H 2 O) 6 B 4 O 5 (OH) 4 (H 2 O) 3 : a new hydrated borate with a short DUV cutoff edge

    Dalton Transactions · 2019-01-01

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  11. 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

    Chemical Communications · 2019-01-01

    Guang Peng, Chensheng Lin, Dan Zhao, Liling Cao, Huixin Fan, Kaichuang Chen, Ning Ye

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

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  13. Abrupt Structural Transformation in Asymmetric ABPO4F (A = K, Rb, Cs)

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  14. Optical and Magnetic Properties of Cu-Containing Borates with “Antizeolite” Structure

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  15. Ba4M(CO3)2(BO3)2 (M=Ba, Sr): two borate-carbonates synthesized by open high temperature solution method

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  16. Designing Three Fluorooxoborates with a Wide Transmittance Window by Anionic Group Substitution

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  17. BaB 2 O 3 F 2 : A Barium Fluorooxoborate with a Unique [B 2 O 3 F] − Layer and Short Cutoff Edge

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

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  19. Centrosymmetric Rb2Mg3(SO4)4 and non-centrosymmetric Cs2Mg3(SO4)4 with a phase-matching nonlinear optical response

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  20. Nitrate nonlinear optical crystals: A survey on structure-performance relationships

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

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  22. CsAlB 3 O 6 F: a beryllium-free deep-ultraviolet nonlinear optical material with enhanced thermal stability

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  23. Emergent Deep‐Ultraviolet Nonlinear Optical Candidates

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

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  25. 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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  27. Inorganic planar π-conjugated groups in nonlinear optical crystals: review and outlook

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  28. Large optical polarizability causing positive effects on the birefringence of planar-triangular BO 3 groups in ternary borates

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  29. Na 3 Sc 2 (PO 4 ) 2 F 3 : rational design and synthesis of an alkali rare-earth phosphate fluoride as an ultraviolet nonlinear optical crystal with an enlarged birefringence

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  30. Nd3+ and Pr3+ doped anti-zeolite matrix-LiBa12(BO3)7F4: Crystal structures, luminescence properties

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  31. RbB 3 O 4 F 2 : a rubidium fluorooxoborate with an unprecedented [B 3 O 5 F 2 ] 3− functionalized unit and a large birefringence

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  32. Second-order nonlinear optical materials with a benzene-like conjugated π system

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  33. KNiB4O6F3: A Layered Fluorooxoborate with Charge‐Oriented Ordering

    Chemistry - A European Journal · 2020-01-08

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  34. A Promising Fluorooxoborate Framework with Flexibile Capability for Diverse Cations to Enhance the Second Harmonic Generation

    Chemistry - A European Journal · 2020-01-16

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  35. Synthesis, Crystal Structure, and Characterization of a Noncentrosymmetric Sulfate Cs2Ca2(SO4)3

    European Journal of Inorganic Chemistry · 2020-02-24

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  36. Alignment of Polar Moieties Leading to Strong Second Harmonic Response in KCsMoP2O9

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  37. Synthesis, characterizations and theoretical analysis of a noncentrosymmetric sulfate

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

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  39. 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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  40. Structure-property survey and computer-assisted screening of mid-infrared nonlinear optical chalcohalides

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  41. Chalcophosphates: A Treasure House of Infrared Nonlinear Optical Materials

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  42. Borates: A Rich Source for Optical Materials

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  43. Na 2 La 2 B 10 O 19 : a new lanthanum sodium borate with infinite 2D layer 2∞[B 10 O 19 ] 8− and moderate birefringence

    New Journal of Chemistry · 2021-01-01

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  44. NaKB 6 O 9 F 2 : a new complex alkali metal fluorooxoborate with puckered layers

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  45. Recent advances of oxyfluorides for nonlinear optical applications

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  46. To improve the key properties of nonlinear optical crystals assembled with tetrahedral functional building units

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  47. Na 6 MQ 4 (M=Zn, Cd; Q=S, Se): Promising New Ternary Infrared Nonlinear Optical Materials

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  48. A2(TeO)P2O7 (A = K, Rb, Cs): Three new tellurite-pyrophosphates with large birefringence

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  49. M3B6O10NO3 (M = K, Rb): Two New Alkali Metal Borate‐Nitrates with Noncentrosymmetric Structures

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  50. Prediction of Novel van der Waals Boron Oxides with Superior Deep‐Ultraviolet Nonlinear Optical Performance

    Angewandte Chemie International Edition · 2021-02-25

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