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RESEARCH PAPER · Chemistry of Materials · 2022

NaBaBS3: A Promising Infrared Functional Material with Large Birefringence Induced by π-Conjugated [BS3] Units

Yihan Yun, Wenlong Xie, Yi Huang, Zhihua Yang, Kui Wu, Guangmao Li, Shilie Pan

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NaBaBS3: A Promising Infrared Functional Material with Large Birefringence Induced by π-Conjugated [BS3] UnitsOriginalLaBS 3 revisited: a promising mid-infrared nonlinear optical material34Ba 3 (BS 3 )(PS 4 ): the first alkaline-earth metal thioborate–thiophosphate with strong optical anisotropy originating from planar [BS 3 ] units8From BPS 4 to AB 3 P 2 S 10 (A = Na, K): cations inducing dimension reduction and bandgap enlargement7MB 3 P 2 S 10 (M = Rb, Cs): two new alkali metal thioboratephosphates with [B 6 P 4 S 20 ] T3-supertetrahedra2Salt-inclusion chalcogenides: Double functional moieties design strategy toward excellent nonlinear optical materials12Theoretical Prediction‐Assisted Synthesis and Characterization of Infrared Nonlinear Optical Material NaSrBS324HgB2S4: A d10 Metal Thioborate with Giant Birefringence and Wide Band Gap31A series of new rare-earth sulfide borates RE3S3BO3 (RE = Nd, Tb, Dy): Syntheses, structures and optical properties1Ca2Ln(BS3)(SiS4) (Ln = La, Ce, and Gd): Mixed Metal Thioborate‐Thiosilicates as Well‐Performed Infrared Nonlinear Optical Materials29[RbSr 3 X][(BS 3 ) 2 ] (X = Cl, Br): two salt-inclusion thioborates with large birefringence and structure transformation from centrosymmetric to asymmetric8AGe2O4Q (A = Ba, Sr; Q = S, Se): A series of heteroanionic oxychalcogenides with large birefringence9Noncentrosymmetric Na6Pb3P4S16 and Centrosymmetric K2MIIP2S6 (MII = Mg and Zn) Displaying Multiple Membered-Ring Configurations and Strong Optical Anisotropy10Evaluation and prospect of Mid-Infrared nonlinear optical materials in f0 rare earth (RE = Sc, Y, La) chalcogenides44[Na2PbI][Ga7S12]: Combining Diamond-Like Anionic Framework with Polycationic Chain toward Achieving Remarkable Nonlinear Optical Response21(C 8 H 7 N 2 O 2 ) 2 [Bi 2 Br 8 ]·2H 2 O and (C 8 H 7 N 2 O 2 ) 6 [Bi 2 Cl 10 ]Cl 2 ·2H 2 O: Exploring Birefringent Crystals in Hybrid Halide Systems5β-Pb3P2S8: A new optical crystal with exceptional birefringence effect11Achieving Phase‐Matching in Nonlinear Optical Materials CsM 2 In 2 S 6 (M = Cd/In, Hg/In) by the Incorporation of Unprecedented Trigonal Planar MS 3 Motifs6BaSbBS 4 : a record-high-performance birefringent crystal identified by a target-driven closed-loop strategy28NaCaGa 3 S 6 : a mixed alkali metal and alkaline earth metal sulfide with a distinctive [Ga 5 S 10 ] ∞ layered framework0Selenoborates: a latent structure resource for infrared functional crystal materials1Stereochemically active lone pair-induced large optical anisotropy in a novel infrared birefringent crystal Ba 2 La 2 Sb 4 S 10 (S 2 )5BaLa4(SiS4)2(BS3)2: Structurally Ordered Thioborate-Thiosilicate Obtained by Adjusting the Cationic Size2Synergistic Machine Learning Guided Discovery of ABa 3 (BSe 3 ) 2 X (A = Rb, Cs; X = Cl, Br, I): A Promising Family as Property‐Balanced IR Functional Materials10Recent progress in structural design strategies of high-birefringence optical crystals54KYSiSe 4 : A Rare-Earth Selenide Infrared Nonlinear Optical Crystal with Wide Infrared Transparency and Well-Balanced E g and SHG Response9Research progress and future prospect of chalcogenides with large optical anisotropy46Hydrogen‐Bond‐Driven Metal‐Free Crystal (C 6 H 7 N 2 O)(NH 2 SO 3 ) with Giant Birefringence and Solar‐Blind Ultraviolet Transmission0Ba 4 CdGa 2 S 6 F 4 : A Chalcohalide Birefringent Crystal with Large Band Gap Designed by the Cation and Anion Cosubstitution Strategy2Linear Cyano Substitution Unlocks Highly Birefringent Tricyanomethanide1Directing Cluster Nuclearity in Semiconducting Lead Thioborates Built from Adamantane and Superadamantane Boron–Sulfur Clusters0The Multi‐Scale Paradigm: An Integrated Design Logic for Nonlinear Optical Crystals1The Multi‐Scale Paradigm: An Integrated Design Logic for Nonlinear Optical Crystals0

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  1. LaBS 3 revisited: a promising mid-infrared nonlinear optical material

    Journal of Materials Chemistry C · 2022-01-01

    Ya‐Xiang Han, Chun‐Li Hu, Zhi Gang Fang, Qianqian Chen, Bingxuan Li, Yuan Hua Lin, Jiang‐Gao Mao

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  2. Ba 3 (BS 3 )(PS 4 ): the first alkaline-earth metal thioborate–thiophosphate with strong optical anisotropy originating from planar [BS 3 ] units

    Dalton Transactions · 2023-01-01

    Jiazheng Zhou, Linan Wang, Hongshan Wang, Ling Luo, Junjie Li, Feng Yu

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  3. From BPS 4 to AB 3 P 2 S 10 (A = Na, K): cations inducing dimension reduction and bandgap enlargement

    Dalton Transactions · 2023-01-01

    Yi Huang, Dongdong Chu, Yihan Yun, Wenlong Xie, Guangmao Li, Yong an Zhang

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  4. MB 3 P 2 S 10 (M = Rb, Cs): two new alkali metal thioboratephosphates with [B 6 P 4 S 20 ] T3-supertetrahedra

    Dalton Transactions · 2023-01-01

    Jiazheng Zhou, Xin Su, Ling Luo, Junjie Li, Feng Yu

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  5. Salt-inclusion chalcogenides: Double functional moieties design strategy toward excellent nonlinear optical materials

    Chinese Journal of Structural Chemistry · 2023-02-07

    Chao-Hong Xie, Bin‐Wen Liu, Guo‐Cong Guo

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  6. Theoretical Prediction‐Assisted Synthesis and Characterization of Infrared Nonlinear Optical Material NaSrBS3

    Advanced Optical Materials · 2023-05-05

    Yihan Yun, Mengfan Wu, Congwei Xie, Zhihua Yang, Guangmao Li, Shilie Pan

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  7. HgB2S4: A d10 Metal Thioborate with Giant Birefringence and Wide Band Gap

    Chemistry of Materials · 2023-05-24

    Yi Huang, Yong an Zhang, Dongdong Chu, Zhihua Yang, Guangmao Li, Shilie Pan

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  8. A series of new rare-earth sulfide borates RE3S3BO3 (RE = Nd, Tb, Dy): Syntheses, structures and optical properties

    Journal of Solid State Chemistry · 2023-08-18

    Yun Xie, Da-Li Chen, Yu-Long Wei, Nan Zhang, Wen‐Dong Yao, Sheng‐Ping Guo

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  9. Ca2Ln(BS3)(SiS4) (Ln = La, Ce, and Gd): Mixed Metal Thioborate‐Thiosilicates as Well‐Performed Infrared Nonlinear Optical Materials

    Small · 2023-09-19

    Ya‐Xiang Han, Chun‐Li Hu, Jiang‐Gao Mao

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  10. [RbSr 3 X][(BS 3 ) 2 ] (X = Cl, Br): two salt-inclusion thioborates with large birefringence and structure transformation from centrosymmetric to asymmetric

    Chemical Communications · 2023-11-17

    Yihan Yun, Xueling Hou, Zhihua Yang, Guangmao Li, Shilie Pan

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  11. AGe2O4Q (A = Ba, Sr; Q = S, Se): A series of heteroanionic oxychalcogenides with large birefringence

    Solid State Sciences · 2023-11-28

    Dong Gao, Fuqiang Chen, Hongping Wu, Zhanggui Hu, Jiyang Wang, Yicheng Wu, Hongwei Yu, P. Shiv Halasyamani

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  12. Noncentrosymmetric Na6Pb3P4S16 and Centrosymmetric K2MIIP2S6 (MII = Mg and Zn) Displaying Multiple Membered-Ring Configurations and Strong Optical Anisotropy

    Inorganic Chemistry · 2023-12-06

    Chenyao Zhao, Dazhi Lu, Xinyu Tian, Jingjing Xu, Bingbing Zhang, Kui Wu, Haohai Yu, Huaijin Zhang

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  13. Evaluation and prospect of Mid-Infrared nonlinear optical materials in f0 rare earth (RE = Sc, Y, La) chalcogenides

    Coordination Chemistry Reviews · 2024-03-22

    Linfeng Dong, Shengzi Zhang, Pifu Gong, Lei Kang, Zheshuai Lin

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  14. [Na2PbI][Ga7S12]: Combining Diamond-Like Anionic Framework with Polycationic Chain toward Achieving Remarkable Nonlinear Optical Response

    Chemistry of Materials · 2024-03-27

    Zixuan Wu, Wen‐Fa Chen, Xiao‐Ming Jiang, Bin‐Wen Liu, Guo‐Cong Guo

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  15. (C 8 H 7 N 2 O 2 ) 2 [Bi 2 Br 8 ]·2H 2 O and (C 8 H 7 N 2 O 2 ) 6 [Bi 2 Cl 10 ]Cl 2 ·2H 2 O: Exploring Birefringent Crystals in Hybrid Halide Systems

    Inorganic Chemistry · 2024-05-10

    Mingliang Ding, Qiong Sen Wu, Yaoguo Shen, Jinquan Hong, Guofa Dong, Liang Ma

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  16. β-Pb3P2S8: A new optical crystal with exceptional birefringence effect

    Chinese Chemical Letters · 2024-07-15

    Weiping Guo, Ying Zhu, Hong‐Hua Cui, Lingyun Li, Yan Yu, Zhong‐Zhen Luo, Zhigang Zou

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  17. Achieving Phase‐Matching in Nonlinear Optical Materials CsM 2 In 2 S 6 (M = Cd/In, Hg/In) by the Incorporation of Unprecedented Trigonal Planar MS 3 Motifs

    Small · 2024-11-19

    Lin‐Tao Jiang, Yi‐Bing Huang, Shao‐Min Pei, Xiao‐Ming Jiang, Bin‐Wen Liu, Guo‐Cong Guo

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  18. BaSbBS 4 : a record-high-performance birefringent crystal identified by a target-driven closed-loop strategy

    Chemical Science · 2025-01-01

    Ming‐Zhi Zhang, Yue Zhao, Chun‐Li Hu, Jiang‐Gao Mao

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  19. NaCaGa 3 S 6 : a mixed alkali metal and alkaline earth metal sulfide with a distinctive [Ga 5 S 10 ] ∞ layered framework

    Dalton Transactions · 2025-01-01

    Jiale Chen, Haipeng Zhou, Huimin Sha, Jinfeng Liu, Xiu Zhu, Guisheng Xu, Jiankang Wang

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  20. Selenoborates: a latent structure resource for infrared functional crystal materials

    Inorganic Chemistry Frontiers · 2025-01-01

    Yihan Yun, Abudukadi Tudi, Zhihua Yang, Guangmao Li, Shilie Pan

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  21. Stereochemically active lone pair-induced large optical anisotropy in a novel infrared birefringent crystal Ba 2 La 2 Sb 4 S 10 (S 2 )

    Inorganic Chemistry Frontiers · 2025-01-01

    Jingdong Yan, Xiangran Kong, Shichao Cheng, Tao Liu, Hongwei Leng, Yunfei Shang, Zuotao Lei, Chunhui Yang

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  22. BaLa4(SiS4)2(BS3)2: Structurally Ordered Thioborate-Thiosilicate Obtained by Adjusting the Cationic Size

    Inorganic Chemistry · 2025-03-19

    Ya‐Xiang Han, Mingzhi Zhang, Chun‐Li Hu, Jiang‐Gao Mao

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  23. Synergistic Machine Learning Guided Discovery of ABa 3 (BSe 3 ) 2 X (A = Rb, Cs; X = Cl, Br, I): A Promising Family as Property‐Balanced IR Functional Materials

    Advanced Science · 2025-04-26

    Yihan Yun, Mengfan Wu, Zhihua Yang, Guangmao Li, Shilie Pan

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  24. Recent progress in structural design strategies of high-birefringence optical crystals

    Coordination Chemistry Reviews · 2025-05-08

    A-Lan Xu, Mao‐Yin Ran, Xintao Wu, Hua Lin, Qi‐Long Zhu

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  25. 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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  26. Research progress and future prospect of chalcogenides with large optical anisotropy

    Coordination Chemistry Reviews · 2025-06-20

    Zhen-Cheng Wu, Sheng‐Ping Guo

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  27. Hydrogen‐Bond‐Driven Metal‐Free Crystal (C 6 H 7 N 2 O)(NH 2 SO 3 ) with Giant Birefringence and Solar‐Blind Ultraviolet Transmission

    Advanced Optical Materials · 2025-12-10

    Zhenkai Cen, Z.-Y. Li, Guang Peng, Junbo Gong, Junbo Gong

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  28. Ba 4 CdGa 2 S 6 F 4 : A Chalcohalide Birefringent Crystal with Large Band Gap Designed by the Cation and Anion Cosubstitution Strategy

    Inorganic Chemistry · 2026-03-02

    Jingdong Yan, Xiangran Kong, Zichang Wang, Hongwei Leng, Tao Liu, Yunfei Shang, Nikolay Yudin, Z. L. Lei, Chunhui Yang

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  29. Linear Cyano Substitution Unlocks Highly Birefringent Tricyanomethanide

    ACS Materials Letters · 2026-03-24

    Bin Chen, Yanqiang Li, Weiqi Huang, Ji Qi, Xianyu Song, Yipeng Song, Zhenchao Bai, Yang Zhou, Junhua Luo, Sangen Zhao

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  30. Directing Cluster Nuclearity in Semiconducting Lead Thioborates Built from Adamantane and Superadamantane Boron–Sulfur Clusters

    Chemistry of Materials · 2026-09-04

    Nicholas Britt, Michael J. Waters, Khasim Saheb Bayikadi, Safdar Imam, James M. Rondinelli, Mercouri G. Kanatzidis

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  31. The Multi‐Scale Paradigm: An Integrated Design Logic for Nonlinear Optical Crystals

    Angewandte Chemie International Edition · 2026-09-10

    Xiangqing Cao, Haotian Qiu, Juanjuan Lu, Yun Mo Yang, Xueling Hou, Junjie Li, Shilie Pan, Miriding Mutailipu

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  32. The Multi‐Scale Paradigm: An Integrated Design Logic for Nonlinear Optical Crystals

    Angewandte Chemie · 2026-09-10

    Xiangqing Cao, Haotian Qiu, Juanjuan Lu, Yun Mo Yang, Xueling Hou, Junjie Li, Shilie Pan, Miriding Mutailipu

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