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RESEARCH PAPER · Science China Chemistry · 2021

BaYOBO3: A deep-ultraviolet rare-earth oxy-borate with a large second harmonic generation response

Mengen Gao, Hongping Wu, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu

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BaYOBO3: A deep-ultraviolet rare-earth oxy-borate with a large second harmonic generation responseOriginalBa 4 Ca(B 2 O 5 ) 2 F 2 : π-conjugation of B 2 O 5 in the planar pentagonal layer achieving large second harmonic generation of pyro -borate34K 2 ZnMoP 2 O 10 : a novel nonlinear optical molybdophosphate with a strong second harmonic generation response and moderate birefringence24K5Mg2La3(BO3)6: An Efficient, Deep-Ultraviolet Nonlinear Optical Material70Nd2CaB10O19: A potential self-activated and self-frequency-doubling multifunctional crystal8Superior Infrared Nonlinear Optical Performance Achieved by Synergetic Functional Motif and Vacancy Site Modulations48Designing A New Infrared Nonlinear Optical Material, β‐BaGa 2 Se 4 Inspired by the Phase Transition of the BaB 2 O 4 (BBO) Crystal75Designing A New Infrared Nonlinear Optical Material, β‐BaGa2Se4 Inspired by the Phase Transition of the BaB2O4 (BBO) Crystal13[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 units85Molecular Engineering Design of the First Sr2Be2B2O7-type Fluoride Carbonates AMgLi2(CO3)2F (A=K, Rb) as Deep-Ultraviolet Birefringent Crystal※1Pb 4 SeBr 6 : A Congruently Melting Mid‐Infrared Nonlinear Optical Material with Excellent Comprehensive Performance39New double nonlinear-optical borate Rb3SmB6O12: Synthesis, structure and spectroscopic properties26Cd4InO(BO3)3: A New Nonlinear Optical Crystal Exhibiting Strong Second Harmonic Generation Effect and Moderate Birefringence2Revealing Electron–Phonon Coupling Dependence on the π-Conjugated Groups in Rare-Earth Borates6Rb5Ba2(B10O17)2(BO2): The formation of unusual functional [BO2]− in borates with deep-ultraviolet transmission window62Deep Ultraviolet-Transparent Materials with Strong Second-Harmonic Response50Cs2B4O5(OH)4: A new hydrated borate with a short UV cutoff edge2AeMg6Ga6S16 (Ae = Ca, Sr, Ba): The First Double Alkaline‐Earth Metal Chalcogenides with Excellent Performances29Rb 3 B 11 P 2 O 23 : Materials Design of a New Chemically Benign Deep-Ultraviolet Nonlinear Optical Material58A promising ultraviolet nonlinear optical crystal: Rb 3 Ba 3 Li 2 Al 4 B 6 O 20 F—crystal growth, physical properties, and 266 nm laser generation17Clamping effect driven design and fabrication of new infrared birefringent materials with large optical anisotropy45Dimensionality Effect of the “Free-Oxygen” Motif on the Crystal Field Splitting in Rare-Earth Crystals5Optimization strategies for comprehensive performance of organic second-order nonlinear optical materials1A-site cation manipulation of exemplary second harmonic generation response and optical anisotropy in rare-earth borates18Assembly of π‐Conjugated [B 3 O 6 ] Units by Mer‐Isomer [YO 3 F 3 ] Octahedra to Design a UV Nonlinear Optical Material, Cs 2 YB 3 O 6 F 211Assembly of π‐Conjugated [B3O6] Units by Mer‐Isomer [YO3F3] Octahedra to Design a UV Nonlinear Optical Material, Cs2YB3O6F297Unraveling Superior Elasticity and Controlled Thermal Expansion in Trigonal MBO3 (M=Al, Ga) with Isolated [BO3] Group: A Theoretical Perspective9Breaking through the ‘‘200 nm deep-ultraviolet wall’’ of phase matching region by cation structural modulation27CdInO(BO3): An oxyborate birefringent material explored from d10 metal compounds1Ba2ScBSi2O9: A Mixed-Coordination Borosilicate with a Low B/Si Ratio Exhibiting Enhanced Second Harmonic Generation Response7K3Y3(BO3)4: A Potential UV Nonlinear-Optical Crystal Designed by a Chemical Substitution Strategy14Rb 1.87 Cs 1.13 B 8 O 13 (NO 3 ): a new acentric borate-nitrate with two types of three-dimensional interpenetrating lattices1Chemical substitution towards a rare-earth borate ultraviolet NLO crystal exhibiting a strong SHG response17K 15 La 7 (BO 3 ) 12 : A KBBF-Like Nonlinear-Optical Material with a Short Cutoff Edge and a Strong Second-Harmonic-Generation Response10Rational design of a series of non-centrosymmetric antiperovskite and double antiperovskite borate fluorides13Ba 3 Al 2 B 12 O 24 : a beryllium-free member of the Sr 2 Be 2 B 2 O 7 family with a 2 ∞ [B 12 Al 2 O 28 ] double-layered structure4Designing rare earth borates as UV nonlinear optical crystals exhibiting strong second-harmonic generation responses15KNa 2 Y 2 B 2 O 6 F 3 : a beryllium free deep-UV nonlinear optical crystal with well-balanced properties2LiBa 3 Al 2 B 3 O 11 : a deep-ultraviolet transparent optical borate featuring a 2D [Al 2 B 3 O 11 ] ∞ layered structure0M 3 MoO 4 (HCO 3 ) (M = Rb and Cs): cation-tuned synthesis of two noncentrosymmetric molybdate-carbonates with isolated [MoO 4 ] and [HCO 3 ] groups0Assembly of π-conjugated [B3O7] groups by unprecedented antiparallel triangles [ZnO3] to tailor a deep-UV zinc borate birefringent crystal6KYSiSe 4 : A Rare-Earth Selenide Infrared Nonlinear Optical Crystal with Wide Infrared Transparency and Well-Balanced E g and SHG Response9Cd3Sc(BO3)3: a novel orthoborate with pseudo-1D ∞[ScB6O18] chains0A Promising Short-Wave UV NLO Crystal with an Optimized KBBF-like Structure and Well-Balanced Properties Achieved via a Chemical Substitution Strategy6From [C(NH2)3]2[Sn2(C2O4)3]·2H2O to [C(NH2)3]4[Sn(C2O4)2]2·H2O: Uneven-substitution-activated polar stannous oxalate with balanced bandgap and birefringence0Influence of the Cation Size on Symmetry Breaking and Optical Performances in Ae2Mg3(BO3)2F4 (Ae = Sr, Ba)0

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  1. Ba 4 Ca(B 2 O 5 ) 2 F 2 : π-conjugation of B 2 O 5 in the planar pentagonal layer achieving large second harmonic generation of pyro -borate

    Chemical Science · 2021-01-01

    Shuaishuai Li, Xiaomeng Liu, Hongping Wu, Zhongfu Song, Hongwei Yu, Zheshuai Lin, Zhanggui Hu, Jiyang Wang, Yicheng Wu

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  2. K 2 ZnMoP 2 O 10 : a novel nonlinear optical molybdophosphate with a strong second harmonic generation response and moderate birefringence

    Journal of Materials Chemistry C · 2021-01-01

    Haonan Liu, Hongping Wu, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu

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  3. K5Mg2La3(BO3)6: An Efficient, Deep-Ultraviolet Nonlinear Optical Material

    Chemistry of Materials · 2021-05-21

    Runqing Liu, Hongping Wu, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu

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  4. Nd2CaB10O19: A potential self-activated and self-frequency-doubling multifunctional crystal

    Journal of Solid State Chemistry · 2021-09-03

    Jingcheng Feng, Youquan Liu, Yanling Cheng, Heng Tu, Feidi Fan, Jun Shen, Zheshuai Lin, Guochun Zhang

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  5. Superior Infrared Nonlinear Optical Performance Achieved by Synergetic Functional Motif and Vacancy Site Modulations

    Chemistry of Materials · 2021-11-03

    Shao‐Min Pei, Bin‐Wen Liu, Xiao‐Ming Jiang, Ya-Qian Zou, Wen‐Fa Chen, Qiu-Nan Yan, Guo‐Cong Guo

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  6. Designing A New Infrared Nonlinear Optical Material, β‐BaGa 2 Se 4 Inspired by the Phase Transition of the BaB 2 O 4 (BBO) Crystal

    Angewandte Chemie International Edition · 2021-11-16

    Yu-Jie Zhang, Qiang Bian, Hongping Wu, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu

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  7. Designing A New Infrared Nonlinear Optical Material, β‐BaGa2Se4 Inspired by the Phase Transition of the BaB2O4 (BBO) Crystal

    Angewandte Chemie · 2021-11-16

    Yu-Jie Zhang, Qiang Bian, Hongping Wu, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu

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  8. [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 units

    Journal of Materials Chemistry C · 2022-01-01

    Congcong Jin, Fuming Li, Zhihua Yang, Shilie Pan, Miriding Mutailipu

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  9. Molecular Engineering Design of the First Sr2Be2B2O7-type Fluoride Carbonates AMgLi2(CO3)2F (A=K, Rb) as Deep-Ultraviolet Birefringent Crystal※

    化学学报 · 2022-01-01

    Yunxia Song, Fei Liang, Haotian Tian, Yan Wu, Min Luo

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  10. Pb 4 SeBr 6 : A Congruently Melting Mid‐Infrared Nonlinear Optical Material with Excellent Comprehensive Performance

    Advanced Optical Materials · 2022-01-29

    Jiankang Wang, Hongping Wu, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu

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  11. New double nonlinear-optical borate Rb3SmB6O12: Synthesis, structure and spectroscopic properties

    Journal of Alloys and Compounds · 2022-02-01

    Victor V. Atuchin∥⊥, Alexey Karpovich Subanakov, Aleksandr S. Aleksandrovsky, Баир Гармаевич Базаров, Jibzema G. Bazarova, А. С. Крылов, Мaxim S. Моlokeev, Aleksandr S. Oreshonkov, Alexey M. Pugachev

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  12. Cd4InO(BO3)3: A New Nonlinear Optical Crystal Exhibiting Strong Second Harmonic Generation Effect and Moderate Birefringence

    Crystals · 2022-02-15

    Runqing Liu, Hongping Wu, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu

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  13. Revealing Electron–Phonon Coupling Dependence on the π-Conjugated Groups in Rare-Earth Borates

    Crystal Growth & Design · 2022-02-22

    Fangyan Wang, Fei Liang, Xinyuan Zhang, Dazhi Lu, Haohai Yu, Huaijin Zhang, Jiyang Wang, Yicheng Wu

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  14. Rb5Ba2(B10O17)2(BO2): The formation of unusual functional [BO2]− in borates with deep-ultraviolet transmission window

    Science China Chemistry · 2022-03-10

    Yanhui Zhang, Fuming Li, Rong Yang, Yun Mo Yang, Fangfang Zhang, Zhihua Yang, Shilie Pan

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  15. Deep Ultraviolet-Transparent Materials with Strong Second-Harmonic Response

    Chemistry of Materials · 2022-08-22

    Binqian Yuan, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  16. Cs2B4O5(OH)4: A new hydrated borate with a short UV cutoff edge

    Inorganica Chimica Acta · 2022-10-19

    Aixin Zhu, Jianbang Chen, Yanhui Zhang, Zhi Guo Su

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  17. AeMg6Ga6S16 (Ae = Ca, Sr, Ba): The First Double Alkaline‐Earth Metal Chalcogenides with Excellent Performances

    Advanced Optical Materials · 2022-11-24

    Jiale Chen, Yu-Jie Zhang, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  18. Rb 3 B 11 P 2 O 23 : Materials Design of a New Chemically Benign Deep-Ultraviolet Nonlinear Optical Material

    ACS Materials Letters · 2022-12-12

    Haonan Liu, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, P. Shiv Halasyamani, Hongwei Yu

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  19. A promising ultraviolet nonlinear optical crystal: Rb 3 Ba 3 Li 2 Al 4 B 6 O 20 F—crystal growth, physical properties, and 266 nm laser generation

    Journal of Materials Chemistry C · 2022-12-15

    Jiankang Wang, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  20. Clamping effect driven design and fabrication of new infrared birefringent materials with large optical anisotropy

    Science China Chemistry · 2023-03-13

    Linan Wang, Chenchen Tu, Hongbo Gao, Jiazheng Zhou, Hongshan Wang, Zhihua Yang, Shilie Pan, Junjie Li

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  21. Dimensionality Effect of the “Free-Oxygen” Motif on the Crystal Field Splitting in Rare-Earth Crystals

    The Journal of Physical Chemistry C · 2023-07-25

    Fangyan Wang, Fei Liang, Dazhi Lu, Wang Liu, Guochun Zhang, Haohai Yu, Huaijin Zhang, Yicheng Wu

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  22. Optimization strategies for comprehensive performance of organic second-order nonlinear optical materials

    Chinese Science Bulletin (Chinese Version) · 2023-08-01

    Panpan Qiao, Qianqian Li, Zhen Li

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  23. A-site cation manipulation of exemplary second harmonic generation response and optical anisotropy in rare-earth borates

    Chemical Science · 2024-01-01

    Jie Song, Huijian Zhao, Conggang Li, Ning Ye, Zhanggui Hu, Yicheng Wu

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  24. Assembly of π‐Conjugated [B 3 O 6 ] Units by Mer‐Isomer [YO 3 F 3 ] Octahedra to Design a UV Nonlinear Optical Material, Cs 2 YB 3 O 6 F 2

    Angewandte Chemie · 2024-05-07

    Hongping Wu, Zhijun Wei, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  25. Assembly of π‐Conjugated [B3O6] Units by Mer‐Isomer [YO3F3] Octahedra to Design a UV Nonlinear Optical Material, Cs2YB3O6F2

    Angewandte Chemie International Edition · 2024-05-08

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  26. Unraveling Superior Elasticity and Controlled Thermal Expansion in Trigonal MBO3 (M=Al, Ga) with Isolated [BO3] Group: A Theoretical Perspective

    European Journal of Inorganic Chemistry · 2024-07-24

    Dingfeng Yang, Yurou Tang, Hongxu Xia, Keman Yin, Yuanyuan Li, Yuanyuan Li

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  27. Breaking through the ‘‘200 nm deep-ultraviolet wall’’ of phase matching region by cation structural modulation

    Materials Today Physics · 2024-08-01

    Yi Zheng, Zhijun Wei, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  28. CdInO(BO3): An oxyborate birefringent material explored from d10 metal compounds

    Journal of Molecular Structure · 2024-08-03

    Runqing Liu, Rongwei Shi, Jiming Huang, Fen Ye, Senlin Leng

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  29. Ba2ScBSi2O9: A Mixed-Coordination Borosilicate with a Low B/Si Ratio Exhibiting Enhanced Second Harmonic Generation Response

    Inorganic Chemistry · 2024-08-21

    Ming Yang, Hongwei Yu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongping Wu

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  30. K3Y3(BO3)4: A Potential UV Nonlinear-Optical Crystal Designed by a Chemical Substitution Strategy

    Inorganic Chemistry · 2024-09-12

    Chao Yang Feng, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  31. Rb 1.87 Cs 1.13 B 8 O 13 (NO 3 ): a new acentric borate-nitrate with two types of three-dimensional interpenetrating lattices

    New Journal of Chemistry · 2024-11-20

    Changyou Liu, Xu Liu, Qiuyuan Feng, Ketian Hou, Bei Zhang, Juanjuan Lu

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  32. Chemical substitution towards a rare-earth borate ultraviolet NLO crystal exhibiting a strong SHG response

    Inorganic Chemistry Frontiers · 2024-11-21

    Xianghao Kong, Jing Chai, Huijian Zhao, Ning Ye, Zhanggui Hu, Yicheng Wu, Conggang Li

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  33. K 15 La 7 (BO 3 ) 12 : A KBBF-Like Nonlinear-Optical Material with a Short Cutoff Edge and a Strong Second-Harmonic-Generation Response

    Inorganic Chemistry · 2024-12-07

    Fanlu Bu, Xiaorong Liu, Hongwei Yu, Runqing Liu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongping Wu

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  34. Rational design of a series of non-centrosymmetric antiperovskite and double antiperovskite borate fluorides

    Chemical Science · 2024-12-17

    Fuqiang Chen, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu

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  35. Ba 3 Al 2 B 12 O 24 : a beryllium-free member of the Sr 2 Be 2 B 2 O 7 family with a 2 ∞ [B 12 Al 2 O 28 ] double-layered structure

    Chemical Science · 2025-01-01

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  36. Designing rare earth borates as UV nonlinear optical crystals exhibiting strong second-harmonic generation responses

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    Mengru Liu, Xianghao Kong, Shuaifeng Li, Ning Ye, Zhanggui Hu, Yicheng Wu, Conggang Li

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  37. KNa 2 Y 2 B 2 O 6 F 3 : a beryllium free deep-UV nonlinear optical crystal with well-balanced properties

    Chemical Communications · 2025-01-01

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  38. LiBa 3 Al 2 B 3 O 11 : a deep-ultraviolet transparent optical borate featuring a 2D [Al 2 B 3 O 11 ] ∞ layered structure

    Dalton Transactions · 2025-01-01

    Shuangyue Shang, Fan Liu, Lei Kang, Tong Wu, Tianhong Huang, Lijuan Liu, Xiaoyang Wang

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  39. M 3 MoO 4 (HCO 3 ) (M = Rb and Cs): cation-tuned synthesis of two noncentrosymmetric molybdate-carbonates with isolated [MoO 4 ] and [HCO 3 ] groups

    Journal of Materials Chemistry C · 2025-01-01

    Jianlong Huang, Wenhu Wang, JuanJuan Lu, Feng Yu

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  40. Assembly of π-conjugated [B3O7] groups by unprecedented antiparallel triangles [ZnO3] to tailor a deep-UV zinc borate birefringent crystal

    Chinese Chemical Letters · 2025-01-07

    Ning Yang, Huijian Zhao, Wenli Zhao, Yuheng She, Ning Ye, Zhanggui Hu, Conggang Li

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  41. KYSiSe 4 : A Rare-Earth Selenide Infrared Nonlinear Optical Crystal with Wide Infrared Transparency and Well-Balanced E g and SHG Response

    Inorganic Chemistry · 2025-06-16

    Haixia Wang, Wangfei Che, Hongbo Zhang, Xinfeng Guo, Limei Xiao, Yakun Tang, Guangmao Li

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  42. Cd3Sc(BO3)3: a novel orthoborate with pseudo-1D ∞[ScB6O18] chains

    Polyhedron · 2025-06-24

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  43. A Promising Short-Wave UV NLO Crystal with an Optimized KBBF-like Structure and Well-Balanced Properties Achieved via a Chemical Substitution Strategy

    Inorganic Chemistry · 2025-07-02

    Shuaifeng Li, Mengru Liu, Peng Zhao, Huijian Zhao, Ning Ye, Zhanggui Hu, Conggang Li

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  44. From [C(NH2)3]2[Sn2(C2O4)3]·2H2O to [C(NH2)3]4[Sn(C2O4)2]2·H2O: Uneven-substitution-activated polar stannous oxalate with balanced bandgap and birefringence

    Journal of Molecular Structure · 2026-01-25

    Yin-Jie Peng, Xin-Ting Zhu, P. L. Li, Zhi Fang, Meihong Duan

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  45. Influence of the Cation Size on Symmetry Breaking and Optical Performances in Ae2Mg3(BO3)2F4 (Ae = Sr, Ba)

    Inorganic Chemistry · 2026-10-05

    Yu Qiu, Haonan Liu, Yujie Zhang, Hongping Wu, Hongwei Yu

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