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RESEARCH PAPER · Inorganic Chemistry Frontiers · 2021

Recent advances of oxyfluorides for nonlinear optical applications

Shuo Bai, Dan Wang, Hongkun Liu, Ying Wang

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Recent advances of oxyfluorides for nonlinear optical applicationsOriginalThe First Mixed Calcium Zinc Borate with a Flexible [B8O17] Fundamental Building Block and Short UV Cutoff Edge7SrAlB3O6F2: A Fluoroaluminoborate with [Al2B6O14F4] Units and Large Birefringence22Centrosymmetric or Noncentrosymmetric? Transition Metals Talking in K 2 TGe 3 S 8 (T = Co, Fe)25Tetrafluoroborate-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 Case37Cd3(PO4)(TePO6): A Novel Cadmium Tellurite‐Phosphate featuring a {[TePO6]3−}∞ Chain15The Electronic Structural and Defect-Induced Absorption Properties of a Ca2B10O14F6 Crystal1Second-Harmonic-Generation-Active Oxyhalides: CuSb2O3X (X = Cl, Br)17A 2 P 2 S 6 (A = Ba and Pb): a good platform to study the polymorph effect and lone pair effect to form an acentric structure28Band gap modulation and nonlinear optical properties of quaternary tellurates Li 2 GeTeO 613BaSc 2 (HPO 3 ) 4 (H 2 O) 2 : a new nonlinear optical phosphite exhibiting a 3D {[Sc 2 (HPO 3 ) 4 ] 2− } ∞ anionic framework and phase-matchable SHG effect32Na 2 SrB 16 O 26 : a new borate with independent interpenetrating B–O networks and deep-ultraviolet cutoff edge4Na 3 B 6 O 10 (HCOO): an ultraviolet nonlinear optical sodium borate-formate33PNO: a promising deep-UV nonlinear optical material with the largest second harmonic generation effect17Two lead borate-nitrates with anion-centered [OPb 4 ] tetrahedra and two types of π-conjugated planar units showing large birefringence20Two porous-layered borates built by B 7 O 13 (OH) clusters and AlO 4 /GaO 4 tetrahedra7HgTeO2F(OH): A Nonlinear Optical Oxyfluoride Constructed of Active [TeO2F(OH)]2– Pyramids and V-Shaped [HgO2]2– Groups36The Kurtz-Perry powder technique revisited: A case study on the importance of reference quality and broadband nonlinear optical measurements using LiInSe232First Investigation of Nonlinear Optical Oxychalcogenide with Three‐Dimensional Anionic Framework and Special Windmill‐Like Functional Motifs †28Difluoro(oxalato)borates as Short-Wavelength Optical Crystals with Bifunctional [BF 2 C 2 O 4 ] Units38Rearrangement of [B2O5] Dimers within [B7O14] Clusters Enables Enhanced Optical Anisotropy in Li3Cs6Al2B14O28F4[C(NH2)3]2MoO2F4·H2O: Unique Chinese-Knot Structure Revealing Superior Nonlinear-Optical Properties19Predicting Diamond-like Nitrides as Infrared Nonlinear Optical Materials with High Thermal Conductivity20From Ba3Nb2O2F12(H2O)2 to Ba0.5NbO2F2(H2O): Achieving Balanced Nonlinear Optical Performance by O/F Ratio Regulation18A new high-pressure polymorph of K 2 MoO 2 F 40Anisotropic structure building unit involving diverse chemical bonds: a new opportunity for high-performance second-order NLO materials181Hg 3 O 2 (NO 3 )F: a mercury nitrate oxyfluoride with an unprecedented [(Hg 3 O 2 F) + ] ∞ cationic framework and excellent optical anisotropy21Modulating optical performance by phase transition in a nonlinear optical material β-Li 2 RbBi(PO 4 ) 28Na 6 Sn 3 P 4 S 16 : Sn( ii )-chelated PS 4 groups inspired an ultra-strong SHG response22Machine Learning Regression Model for Predicting the Formation Energy of Nonlinear Optical Crystals5K2(H2O)WO3F2: A new nonlinear optical material with remarkable second-harmonic generation response and enhanced laser damage threshold9CsHfF4(IO3): A Hafnium Iodate Exhibiting a Strong Second-Harmonic-Generation Effect and a Wide Band Gap Achieved by Mixed-Ligand Acentric Coordination8Recent progress in ultraviolet and deep-ultraviolet nonlinear optical aluminoborates17Identifying Ordered OH/F Anions in Hydroxyfluorides by a Terahertz Spectroscopic Approach21CaB2O2F4: A Novel [BOF2]∞-Based Structural Template with a Strong Second Harmonic Generation Response and Large Band Gap2The induced polarization enhanced birefringence in AlPS4 family: A first-principles investigation6Synthesis, crystal structure and photocatalytic studies of new oxyfluoride Cu5AsO5F516Recent progress of newly developed functional building units and corresponding nonlinear optical materials14Recent Progress in Crystalline Borates with Edge-Sharing BO4 Tetrahedra21Nonlinear optical inorganic sulfates: The improvement of the phase matching ability driven by the structural modulation41Ba3.75MgB7O14F2.5: A Mixed Alkaline-Earth Metal Borate Fluoride with Short Ultraviolet Cutoff Edge and Large Birefringence9Li9Mg3[PO4]4F3 fluorophosphate as a new thermoluminescent material: Experimental and theoretical study6Ultrashort Phase‐Matching Wavelength and Strong Second‐Harmonic Generation in Deep‐UV‐Transparent Oxyfluorides by Covalency Reduction33Ultrashort Phase‐Matching Wavelength and Strong Second‐Harmonic Generation in Deep‐UV‐Transparent Oxyfluorides by Covalency Reduction3Structural modeling of oxygen-fluorine ordering in transition metal inorganic oxyfluorides0Quenching mechanism and luminescence enhancement strategy of Eu2+-activator in fluoroborate host Ba5B4O10F213Enhanced thermoluminescence of sodium-doped lithium–magnesium fluorophosphate Li9Mg3[PO4]4F31K 3 Mo 2 O 5.6 F 3.4 and K 3 V 2 O 3.3 F 5.7 – exploring transition metal cation valence and anion distribution in oxyfluorides0Large second harmonic generation and birefringence from extended octupolar π-conjugated structures35Comprehensive realization of the crystal growth perfection of the uni-indexed, bi-indexed and tri-indexed planes of single crystals grown by unidirectional technique- A case study on potassium dihydrogen phosphate6Enhancement of Birefringence in π-Conjugated Oxyfluorides Achieved via van der Waals Layered Structural Optimization10Simple and Scalable Synthetic Route for Tunable Compositions of Multimetallic Oxyfluorides as Oxygen Evolution Reaction Catalysts8Synthesis, crystal structure and nonlinear optical property of 1-((propan-2-ylideneamino)oxy)propan-2-yl-4-methylbenzenesulfonate, C13H19O4NS0Recent advances and future perspectives on rare-earth-based nonlinear optical materials with π-conjugated [XO3] (X = B, C, N) units66Learning From Nature: The Rational Non‐Centrosymmetric Structural Design in the Honeycomb‐Like Gaudefroyite Family23Breaking Symmetry for SHG Response: Lanthanide Acetate Crystals via Water Molecule Regulation Strategy5Different magnitudes of second-order Jahn-Teller effect in isostructural NaMO2F2 (M = Nb, Ta) oxyfluorides4Ordre/désordre anionique dans les hydroxyfluorures à base de Mg, Ni, Cu & Zn : corrélation composition/structure & propriétés physico-chimiques0Fluoride-target-assisted growth of Pb 2 OF 2 oxyfluoride films with anion ordering and high dielectric constant0Improving excited-state dynamic properties with the help of metalide character and excess electrons: earlier transition-metal pairing with superalkali clusters7Antiferroelectric Behavior in Mixed‐Anion Bi2TiO4F2 Induced by Rotation of TiO3F3 Octahedra4Exceptional Second Harmonic Generation in Ultraviolet Nonlinear Optical Oxyfluoroniobate Crystals via Structural Fingerprint Optimization of Polar Chains22Exceptional Second Harmonic Generation in Ultraviolet Nonlinear Optical Oxyfluoroniobate Crystals via Structural Fingerprint Optimization of Polar Chains8Recent achievements of d0 transition-metal-based oxyfluorides: Crystal chemistry and application in second-order NLO materials10(C 4 H 8 N 5 )(PhPHO 2 )·H 2 O: a polar ionic cocrystal with strong second-harmonic generation and high birefringence0Two hydrated ionic cocrystals of phenylphosphonate exhibiting second-harmonic generation and proton conductivity0Comprehensive study of novel fluorophosphate Li2MgPO4F: Synthesis conditions, structural details and Li-ion migration1Reversible Symmetry Switching, Giant Birefringence, and UV Second‐Harmonic Generation in Hybrid Niobium Oxyfluorides0Reversible Symmetry Switching, Giant Birefringence, and UV Second‐Harmonic Generation in Hybrid Niobium Oxyfluorides0

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  1. The First Mixed Calcium Zinc Borate with a Flexible [B8O17] Fundamental Building Block and Short UV Cutoff Edge

    Chemistry - A European Journal · 2021-06-21

    Wenbin Zhang, Siru Guo, Shujuan Han, Zhihua Yang, Shilie Pan

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  2. SrAlB3O6F2: A Fluoroaluminoborate with [Al2B6O14F4] Units and Large Birefringence

    Inorganic Chemistry · 2021-06-24

    Shuo Bai, Xiaodong Zhang, Bingbing Zhang, Ling Li, Ying Wang

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  3. Centrosymmetric or Noncentrosymmetric? Transition Metals Talking in K 2 TGe 3 S 8 (T = Co, Fe)

    Inorganic Chemistry · 2021-06-29

    Bingheng Ji, K. C. Pandey, Colin P. Harmer, Fei Wang, Kui Wu, Jin Hu, Jian Wang

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  4. Tetrafluoroborate-Monofluorophosphate (NH4)3[PO3F][BF4]: First Member of Oxyfluoride with B–F and P–F Bonds

    ACS Organic & Inorganic Au · 2021-08-04

    Haotian Qiu, Wenbing Cai, Zhihua Yang, Yanli Liu, Miriding Mutailipu, Shilie Pan

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  5. Finding a Series of BaBOF3 Fluorooxoborate Polymorphs with Tunable Symmetries: A Simple but Flexible Case

    Chemistry of Materials · 2021-09-30

    Kaitong Liu, Jian Wei Han, Tuohetijiang Baiheti, Fuming Li, Zhonglei Wei, Zhihua Yang, Miriding Mutailipu, Shilie Pan

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  6. Cd3(PO4)(TePO6): A Novel Cadmium Tellurite‐Phosphate featuring a {[TePO6]3−}∞ Chain

    European Journal of Inorganic Chemistry · 2021-10-12

    Wen‐Dong Yao, Mei Yan, Xiaohui Li, Wenlong Liu, Ru‐Ling Tang

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  7. The Electronic Structural and Defect-Induced Absorption Properties of a Ca2B10O14F6 Crystal

    Crystals · 2021-11-22

    Xuejiao Wang, Benyan Xu, Kun‐Peng Wang, Zhenyou Li, Jianxiu Zhang, Lanju Liang, Longfei Li, Yanbiao Ren, Yong Liu, Meng Liu, Dongfeng Xue

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  8. Second-Harmonic-Generation-Active Oxyhalides: CuSb2O3X (X = Cl, Br)

    Inorganic Chemistry · 2021-12-15

    Mei Yang, Zhi‐Hui Shi, Wen‐Dong Yao, Sheng‐Ping Guo

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  9. A 2 P 2 S 6 (A = Ba and Pb): a good platform to study the polymorph effect and lone pair effect to form an acentric structure

    Dalton Transactions · 2022-01-01

    Bingheng Ji, Arka Sarkar, Kui Wu, Andrew Swindle, Jian Wang

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  10. Band gap modulation and nonlinear optical properties of quaternary tellurates Li 2 GeTeO 6

    Dalton Transactions · 2022-01-01

    Dan Wang, Yunxi Zhang, Qian Liu, Bingbing Zhang, Daqing Yang, Ying Wang

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  11. BaSc 2 (HPO 3 ) 4 (H 2 O) 2 : a new nonlinear optical phosphite exhibiting a 3D {[Sc 2 (HPO 3 ) 4 ] 2− } ∞ anionic framework and phase-matchable SHG effect

    Inorganic Chemistry Frontiers · 2022-01-01

    Ru‐Ling Tang, Gang-Xiang Liu, Wen‐Dong Yao, Li-Nan Zhang, Wenlong Liu, Sheng‐Ping Guo

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  12. Na 2 SrB 16 O 26 : a new borate with independent interpenetrating B–O networks and deep-ultraviolet cutoff edge

    Dalton Transactions · 2022-01-01

    Zhikang Chen, Kewang Zhang, Bei Zhang, Jun Zhang

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  13. Na 3 B 6 O 10 (HCOO): an ultraviolet nonlinear optical sodium borate-formate

    Inorganic Chemistry Frontiers · 2022-01-01

    Yinan Zhang, Qing-Fen Li, Bing-Ben Chen, You‐Zhao Lan, Jian‐Wen Cheng, Guo‐Yu Yang

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  14. PNO: a promising deep-UV nonlinear optical material with the largest second harmonic generation effect

    Chemical Communications · 2022-01-01

    Congwei Xie, Abudukadi Tudi, Артем Ромаевич Оганов

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  15. Two lead borate-nitrates with anion-centered [OPb 4 ] tetrahedra and two types of π-conjugated planar units showing large birefringence

    Dalton Transactions · 2022-01-01

    Shuo Bai, Daqing Yang, Bingbing Zhang, Ling Li, Ying Wang

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  16. Two porous-layered borates built by B 7 O 13 (OH) clusters and AlO 4 /GaO 4 tetrahedra

    CrystEngComm · 2022-01-01

    Yazhuo Dong, Chong‐An Chen, Juan Chen, Jian‐Wen Cheng, Jinhua Li, Guo‐Yu Yang

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  17. HgTeO2F(OH): A Nonlinear Optical Oxyfluoride Constructed of Active [TeO2F(OH)]2– Pyramids and V-Shaped [HgO2]2– Groups

    Inorganic Chemistry · 2022-01-14

    Ru‐Ling Tang, Mei Yan, Wen‐Dong Yao, Wenlong Liu, Sheng‐Ping Guo

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  18. The Kurtz-Perry powder technique revisited: A case study on the importance of reference quality and broadband nonlinear optical measurements using LiInSe2

    Journal of Alloys and Compounds · 2022-05-13

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  19. First Investigation of Nonlinear Optical Oxychalcogenide with Three‐Dimensional Anionic Framework and Special Windmill‐Like Functional Motifs †

    Chinese Journal of Chemistry · 2022-07-14

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  20. Difluoro(oxalato)borates as Short-Wavelength Optical Crystals with Bifunctional [BF 2 C 2 O 4 ] Units

    Chemistry of Materials · 2022-07-26

    Congcong Jin, Fuming Li, Xingqi Li, Juanjuan Lu, Zhihua Yang, Shilie Pan, Miriding Mutailipu

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  21. Rearrangement of [B2O5] Dimers within [B7O14] Clusters Enables Enhanced Optical Anisotropy in Li3Cs6Al2B14O28F

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    Xingqi Li, Dongdong Chu, Wenqi Jin, Zhihua Yang, Shilie Pan, Miriding Mutailipu

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  22. [C(NH2)3]2MoO2F4·H2O: Unique Chinese-Knot Structure Revealing Superior Nonlinear-Optical Properties

    Inorganic Chemistry · 2022-09-07

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  23. Predicting Diamond-like Nitrides as Infrared Nonlinear Optical Materials with High Thermal Conductivity

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  24. From Ba3Nb2O2F12(H2O)2 to Ba0.5NbO2F2(H2O): Achieving Balanced Nonlinear Optical Performance by O/F Ratio Regulation

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  25. A new high-pressure polymorph of K 2 MoO 2 F 4

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  26. Anisotropic structure building unit involving diverse chemical bonds: a new opportunity for high-performance second-order NLO materials

    Chemical Society Reviews · 2023-01-01

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  27. Hg 3 O 2 (NO 3 )F: a mercury nitrate oxyfluoride with an unprecedented [(Hg 3 O 2 F) + ] ∞ cationic framework and excellent optical anisotropy

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  28. Modulating optical performance by phase transition in a nonlinear optical material β-Li 2 RbBi(PO 4 ) 2

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  29. Na 6 Sn 3 P 4 S 16 : Sn( ii )-chelated PS 4 groups inspired an ultra-strong SHG response

    Inorganic Chemistry Frontiers · 2023-01-01

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  30. Machine Learning Regression Model for Predicting the Formation Energy of Nonlinear Optical Crystals

    Advanced Theory and Simulations · 2023-01-29

    Zhen Hong Fan, Zhixin Sun, Ai Wang, Yaohui Yin, Hui Li, Guangyong Jin, Chao Xin

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  31. K2(H2O)WO3F2: A new nonlinear optical material with remarkable second-harmonic generation response and enhanced laser damage threshold

    Journal of Alloys and Compounds · 2023-02-14

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  32. CsHfF4(IO3): A Hafnium Iodate Exhibiting a Strong Second-Harmonic-Generation Effect and a Wide Band Gap Achieved by Mixed-Ligand Acentric Coordination

    Inorganic Chemistry · 2023-02-15

    Yu Huang, Bingxuan Li, Chun‐Li Hu, Bing‐Ping Yang, Jiang‐Gao Mao

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  33. Recent progress in ultraviolet and deep-ultraviolet nonlinear optical aluminoborates

    Chinese Journal of Structural Chemistry · 2023-02-17

    Qingfen Li, Weifeng Chen, You‐Zhao Lan, Jian‐Wen Cheng

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  34. Identifying Ordered OH/F Anions in Hydroxyfluorides by a Terahertz Spectroscopic Approach

    The Journal of Physical Chemistry C · 2023-02-21

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  35. CaB2O2F4: A Novel [BOF2]∞-Based Structural Template with a Strong Second Harmonic Generation Response and Large Band Gap

    The Journal of Physical Chemistry C · 2023-03-22

    Evgenii Tikhonov, Huanhuan Cheng, Abudukadi Tudi, Congwei Xie, Shilie Pan, Zhihua Yang

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  36. The induced polarization enhanced birefringence in AlPS4 family: A first-principles investigation

    Chemical Physics Letters · 2023-04-05

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  37. Synthesis, crystal structure and photocatalytic studies of new oxyfluoride Cu5AsO5F5

    Journal of Molecular Structure · 2023-04-17

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  38. Recent progress of newly developed functional building units and corresponding nonlinear optical materials

    Chinese Journal of Structural Chemistry · 2023-05-11

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  39. Recent Progress in Crystalline Borates with Edge-Sharing BO4 Tetrahedra

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  40. Nonlinear optical inorganic sulfates: The improvement of the phase matching ability driven by the structural modulation

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  41. Ba3.75MgB7O14F2.5: A Mixed Alkaline-Earth Metal Borate Fluoride with Short Ultraviolet Cutoff Edge and Large Birefringence

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    Yunjie Bai, Xinyue Wang, Hongbo Huang, Danyang Dou, Cheng Chen, Bingbing Zhang, Ying Wang

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  42. Li9Mg3[PO4]4F3 fluorophosphate as a new thermoluminescent material: Experimental and theoretical study

    Optical Materials · 2023-10-03

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  43. Ultrashort Phase‐Matching Wavelength and Strong Second‐Harmonic Generation in Deep‐UV‐Transparent Oxyfluorides by Covalency Reduction

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  44. Ultrashort Phase‐Matching Wavelength and Strong Second‐Harmonic Generation in Deep‐UV‐Transparent Oxyfluorides by Covalency Reduction

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  45. Structural modeling of oxygen-fluorine ordering in transition metal inorganic oxyfluorides

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  46. Quenching mechanism and luminescence enhancement strategy of Eu2+-activator in fluoroborate host Ba5B4O10F2

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  47. Enhanced thermoluminescence of sodium-doped lithium–magnesium fluorophosphate Li9Mg3[PO4]4F3

    CrystEngComm · 2024-01-01

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  48. K 3 Mo 2 O 5.6 F 3.4 and K 3 V 2 O 3.3 F 5.7 – exploring transition metal cation valence and anion distribution in oxyfluorides

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  49. Large second harmonic generation and birefringence from extended octupolar π-conjugated structures

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    Danyang Dou, Bingbing Zhang, Daqing Yang, Ying Wang

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  50. Comprehensive realization of the crystal growth perfection of the uni-indexed, bi-indexed and tri-indexed planes of single crystals grown by unidirectional technique- A case study on potassium dihydrogen phosphate

    Journal of Molecular Structure · 2024-01-19

    Sivakumar Aswathappa, Lidong Dai, S. Sahaya Jude Dhas, Martin Britto Dhas Sathiyadhas Amalapushpam, Raju Suresh Kumar, Abdulrahman Ibrahim Almansour

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