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RESEARCH PAPER · Inorganic Chemistry Frontiers · 2018

BaB8O12F2: a promising deep-UV birefringent material

Zhizhong Zhang, Ying Wang, Hao Li, Zhihua Yang, Shilie Pan

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BaB8O12F2: a promising deep-UV birefringent materialOriginalBa 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 edge19CO(NH 2 ) 2 ·NH 4 Cl: an ultraviolet birefringent material with conjugated CO groups16From 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 crystals26Photo-tunable linear and nonlinear optical response of cyclophanediene-dihydropyrene photoswitches9Sn2B5O9Cl: A Material with Large Birefringence Enhancement Activated Prepared via Alkaline‐Earth‐Metal Substitution by Tin255Sn2B5O9Cl: A Material with Large Birefringence Enhancement Activated Prepared via Alkaline‐Earth‐Metal Substitution by Tin33Pb 3 Ba 3 Zn 6 (BO 3 ) 8 and α-BaZn 2 (BO 3 ) 2 : new members of the zincoborates containing two different dimensional Zn–O units8Sr 5 TeO 2 (BO 3 ) 4 and NaSr 5 (BO 3 )(SiO 4 ) 2 : two inorganic metal borate derivatives with diverse zero dimensional anions21Rb3Na(H2C3N3O3)4·3H2O with Large Birefringence28From BaAl 2 (BO 3 ) 2 O to SnAl 2 (BO 3 ) 2 F 2 : structure transformation based on ion regulation3From BiF 3 to BiF 3 ·H 2 O: diverse Bi( iii ) coordination for structural transformation and birefringence regulation14Large optical polarizability causing positive effects on the birefringence of planar-triangular BO 3 groups in ternary borates18Prediction of ternary fluorooxoborates with coplanar triangular units [BO x F 3−x ] x− from first-principles13RbB 3 O 4 F 2 : a rubidium fluorooxoborate with an unprecedented [B 3 O 5 F 2 ] 3− functionalized unit and a large birefringence37A Promising Fluorooxoborate Framework with Flexibile Capability for Diverse Cations to Enhance the Second Harmonic Generation14Li4Ca2B8O16: A Borate with a Unique Fundamental Building Block and a Short Cutoff Edge14New 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 chalcohalides113Y 2 (Te 4 O 10 )(SO 4 ): a new sulfate tellurite with a unique Te 4 O 10 polyanion and large birefringence36Ba 2 B 7 O 12 F with novel FBB [B 7 O 16 F] and deep-ultraviolet cut-off edge31AB 11 O 16 (OH) 2 (A = K and Cs): interpenetrating 2D layers with large birefringence7Borates: A Rich Source for Optical Materials1089Synergism of multiple functional chromophores significantly enhancing the birefringence in layered non-centrosymmetric chalcohalides20Sn3B8O15: A Ternary Tin(II) Borate with Flexible [B8O18]12– Fundamental Building Block Formed by [B7O16]11– and [BO3]3– Groups10A new rare-earth borate birefringent crystal with quasi-two-dimensional [BO 3 ] layers23Barium fluoroiodate crystals with a large band gap and birefringence22Computationally assisted multistage design and prediction driving the discovery of deep-ultraviolet nonlinear optical materials41Li 5 Cs(SO 4 ) 3 : a potential zero-order wave plate material with short deep-ultraviolet cutoff edge20NaKB 6 O 9 F 2 : a new complex alkali metal fluorooxoborate with puckered layers10Pb 2.28 Ba 1.72 B 10 O 19 featuring a three-dimensional B–O anionic network with edge-sharing [BO 4 ] obtained under ambient pressure6RbMo 2 P 3 O 14 with large birefringence mainly induced by highly distorted [MoO 6 ] in uncommon [Mo 2 P 3 O 14 ] ∞ layers9Sn 14 O 11 Br 6 : a promising birefringent material with a [Sn 14 O 11 Br 6 ] layer26Bi2[B2(SeO3)6]: A Metal Boroselenite with a Unique Zero-Dimensional [B2(SeO3)6]6– Anionic Group and Large Birefringence31SrAlB3O6F2: A Fluoroaluminoborate with [Al2B6O14F4] Units and Large Birefringence22Na+/Ag+ substitution induced birefringence enhancement from AgGaS2 to NaGaS218Sc 2 F 2 (B 2 O 5 ): a deep ultraviolet scandium borate fluoride exhibiting large birefringence induced by the synergistic effect of B 2 O 5 and ScO n F 2 groups38Potential optical functional crystals with large birefringence: Recent advances and future prospects322LiB5O5F2(OH)4: A new deep-ultraviolet birefringent crystal with [B5O5F2(OH)4] anionic group28NaB3O4F(OH): A Hydroxyfluorooxoborate with One-Dimensional Chain Featuring Large Birefringence and Short Ultraviolet Cutoff Edge5LiNaB6O9F2: A Promising UV NLO Crystal Having Fluorine‐Directed Optimal Performances and Double Interpenetrating 3[B6O9F2]∞ Networks33The transformation of a zero-dimensional cluster into a one-dimensional chain structure achieving a dramatically enhanced birefringence in tin( ii )-based oxalates33Data Mining and Graph Network Deep Learning for Band Gap Prediction in Crystalline Borate Materials18Na2BaB12O18F4: A Mixed Alkali/Alkaline-Earth Metal Fluorooxoborate with Two Unprecedented Interpenetrating Three-Dimensional B–O/F Anionic Networks and a Short Ultraviolet Cutoff Edge9Effective third harmonic generation of 355 nm ultraviolet laser based on the borate-phosphate Ba 3 (ZnB 5 O 10 )PO 4 crystal9Fluorination strategy toward chemical and functional modification65Alkali-metal isocyanurate Cs 3 (H 2 C 3 N 3 O 3 ) 3 (H 3 C 3 N 3 O 3 )·3H 2 O: synthesis and characterization0Two Mixed Alkali Metal Isocyanurates with Wide Band Gap and Giant Birefringence2Review on birefringence in borates based on birefringence-active functional groups and arrangements57KSb2F7·2KNO3: Unveiling the peak birefringence in inorganic antimony oxysalts10(C3N2H5)B3O3F2(OH)2: Realizing Large Birefringence via a Synergistic Effect between Anion F/OH‐Ratio Optimization and Cation Activation25新型非线性光学晶体和双折射晶体的研究进展（特邀）4BaFS: Birefringence Enhanced by the Transformation from Optical Isotropy to Anisotropy via Interlayer Anion Substitution8Prediction of New Functional Fluorooxoborates with Expected Anionic Framework: A Case of CaB3O5F4Non-equivalent terminating roles of hydroxyl and fluorine in hydroxy/fluorooxo-borate optical functional materials2基于太赫兹光谱技术的硼酸氟化机理分析（特邀）0First-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 Stability0First‐Principles Investigation of the Structural, Electronic, Optical, Elastic, and Thermal Properties of Defect Diamond‐Like Hg 3 P 2 S 80Decoupling Contributions of Distinct Strategies for Enhancing Polarizability Anisotropy in Crystals Containing π-Conjugated Groups0

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  1. 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

    Yahui Li, Hongwei Yu, Guopeng Han, Hao Li, Zhihua Yang, Shilie Pan

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  2. 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

    Inorganic Chemistry Frontiers · 2019-01-01

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

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  3. CO(NH 2 ) 2 ·NH 4 Cl: an ultraviolet birefringent material with conjugated CO groups

    CrystEngComm · 2019-01-01

    Wang Ya, Jian Wei Han, Abudukadi Tudi, Zhizhong Zhang, Zhihua Yang, Shilie Pan

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  4. 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

    Tuohetijiang Baiheti, Shujuan Han, Abudukadi Tudi, Zhihua Yang, Hualiang Yu, Shilie Pan

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  5. Photo-tunable linear and nonlinear optical response of cyclophanediene-dihydropyrene photoswitches

    Journal of Molecular Graphics and Modelling · 2019-02-04

    Bibi Saima, Nasir Khan, Yasair Suliman Al-Faiyz, Ralf Ludwig, Wajid Ur Rehman, Mian Habib-ur-Rehman, Nadeem S. Sheikh, Khurshid Ayub

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  6. Sn2B5O9Cl: A Material with Large Birefringence Enhancement Activated Prepared via Alkaline‐Earth‐Metal Substitution by Tin

    Angewandte Chemie International Edition · 2019-09-17

    Jingyu Guo, Abudukadi Tudi, Shujuan Han, Zhihua Yang, Shilie Pan

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  7. Sn2B5O9Cl: A Material with Large Birefringence Enhancement Activated Prepared via Alkaline‐Earth‐Metal Substitution by Tin

    Angewandte Chemie · 2019-09-17

    Jingyu Guo, Abudukadi Tudi, Shujuan Han, Zhihua Yang, Shilie Pan

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  8. Pb 3 Ba 3 Zn 6 (BO 3 ) 8 and α-BaZn 2 (BO 3 ) 2 : new members of the zincoborates containing two different dimensional Zn–O units

    Inorganic Chemistry Frontiers · 2019-10-09

    Xiaobo Pan, Hongping Wu, Shichao Cheng, Zhengping Wang

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  9. Sr 5 TeO 2 (BO 3 ) 4 and NaSr 5 (BO 3 )(SiO 4 ) 2 : two inorganic metal borate derivatives with diverse zero dimensional anions

    Dalton Transactions · 2019-10-27

    Ru‐Ling Tang, Chun‐Li Hu, Jianghe Feng, Zhi Gang Fang, Yan Chen, Fang Kong, Jiang‐Gao Mao

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  10. Rb3Na(H2C3N3O3)4·3H2O with Large Birefringence

    ACS Omega · 2019-12-13

    Mukeremu Aibibula, Li Wang, Shuzhao Huang

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  11. From BaAl 2 (BO 3 ) 2 O to SnAl 2 (BO 3 ) 2 F 2 : structure transformation based on ion regulation

    New Journal of Chemistry · 2020-01-01

    Ya Wang, Jian Wei Han, Junben Huang, Zhihua Yang, Shuzhao Huang, Shilie Pan

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  12. From BiF 3 to BiF 3 ·H 2 O: diverse Bi( iii ) coordination for structural transformation and birefringence regulation

    CrystEngComm · 2020-01-01

    Xian Liu, Can Yang, Qi Wu, Juan Sun, Fei Liang

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

    Dalton Transactions · 2020-01-01

    Xinyuan Zhou, Junben Huang, Gemei Cai, Heng-Wei Zhou, Yineng Huang, Xin Su

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  14. Prediction of ternary fluorooxoborates with coplanar triangular units [BO x F 3−x ] x− from first-principles

    Dalton Transactions · 2020-01-01

    Zhonglei Wei, Wenyao Zhang, Hao Zeng, Hao Li, Zhihua Yang, Shilie Pan

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  15. 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

    Chemical Communications · 2020-01-01

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

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

    Chemistry - A European Journal · 2020-01-16

    Shichao Cheng, Miriding Mutailipu, Zhihua Yang, Shilie Pan

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  17. Li4Ca2B8O16: A Borate with a Unique Fundamental Building Block and a Short Cutoff Edge

    Inorganic Chemistry · 2020-06-01

    Peng Rong Ren, Yun Mo Yang, Ming Wen, Hao Li, Zhihua Yang, Shilie Pan

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  18. New Alkaline-Earth Metal Fluoroiodates Exhibiting Large Birefringence and Short Ultraviolet Cutoff Edge with Highly Polarizable (IO 3 F) 2– Units

    Chemistry of Materials · 2020-06-10

    Minqiang Gai, Tinghao Tong, Ying Wang, Zhihua Yang, Shilie Pan

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

    Coordination Chemistry Reviews · 2020-07-13

    Le Gao, Junben Huang, Siru Guo, Zhihua Yang, Shilie Pan

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  20. Y 2 (Te 4 O 10 )(SO 4 ): a new sulfate tellurite with a unique Te 4 O 10 polyanion and large birefringence

    Inorganic Chemistry Frontiers · 2020-10-26

    Pengfei Li, Chun‐Li Hu, Fang Kong, Shao‐Ming Ying, Jiang‐Gao Mao

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

    Inorganic Chemistry Frontiers · 2020-10-30

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  22. AB 11 O 16 (OH) 2 (A = K and Cs): interpenetrating 2D layers with large birefringence

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  23. Borates: A Rich Source for Optical Materials

    Chemical Reviews · 2020-12-14

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  24. Synergism of multiple functional chromophores significantly enhancing the birefringence in layered non-centrosymmetric chalcohalides

    Inorganic Chemistry Frontiers · 2020-12-23

    Junben Huang, Jianian Cheng, Bing‐Hua Lei, Zhonglei Wei, Shilie Pan, Zhihua Yang

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  25. Sn3B8O15: A Ternary Tin(II) Borate with Flexible [B8O18]12– Fundamental Building Block Formed by [B7O16]11– and [BO3]3– Groups

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  26. A new rare-earth borate birefringent crystal with quasi-two-dimensional [BO 3 ] layers

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  27. Barium fluoroiodate crystals with a large band gap and birefringence

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

    Materials Chemistry Frontiers · 2021-01-01

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  29. Li 5 Cs(SO 4 ) 3 : a potential zero-order wave plate material with short deep-ultraviolet cutoff edge

    New Journal of Chemistry · 2021-01-01

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

    New Journal of Chemistry · 2021-01-01

    Zilong Chen, Junwei Feng, Bin Dai, Feng Yu

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  31. Pb 2.28 Ba 1.72 B 10 O 19 featuring a three-dimensional B–O anionic network with edge-sharing [BO 4 ] obtained under ambient pressure

    Inorganic Chemistry Frontiers · 2021-01-01

    Siru Guo, Wenbin Zhang, Rong Yang, Min Zhang, Zhihua Yang, Shilie Pan

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  32. RbMo 2 P 3 O 14 with large birefringence mainly induced by highly distorted [MoO 6 ] in uncommon [Mo 2 P 3 O 14 ] ∞ layers

    Dalton Transactions · 2021-01-01

    Rui Zhang, Xin Su, Jie Zhang, Mingyao Xiong, Yineng Huang

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  33. Sn 14 O 11 Br 6 : a promising birefringent material with a [Sn 14 O 11 Br 6 ] layer

    Journal of Materials Chemistry C · 2021-01-01

    Zixiu Lu, Fangfang Zhang, Abudukadi Tudi, Zhihua Yang, Zi‐Jian Li, Shilie Pan

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  34. Bi2[B2(SeO3)6]: A Metal Boroselenite with a Unique Zero-Dimensional [B2(SeO3)6]6– Anionic Group and Large Birefringence

    Inorganic Chemistry · 2021-03-02

    Ru‐Ling Tang, Chun‐Li Hu, Weijie Xie, Q. Huang, Jiang‐Gao Mao

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

    Inorganic Chemistry · 2021-06-24

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  36. Na+/Ag+ substitution induced birefringence enhancement from AgGaS2 to NaGaS2

    Journal of Alloys and Compounds · 2021-12-04

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  37. Sc 2 F 2 (B 2 O 5 ): a deep ultraviolet scandium borate fluoride exhibiting large birefringence induced by the synergistic effect of B 2 O 5 and ScO n F 2 groups

    Inorganic Chemistry Frontiers · 2022-01-01

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  38. Potential optical functional crystals with large birefringence: Recent advances and future prospects

    Coordination Chemistry Reviews · 2022-02-08

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  39. LiB5O5F2(OH)4: A new deep-ultraviolet birefringent crystal with [B5O5F2(OH)4] anionic group

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  40. NaB3O4F(OH): A Hydroxyfluorooxoborate with One-Dimensional Chain Featuring Large Birefringence and Short Ultraviolet Cutoff Edge

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  41. LiNaB6O9F2: A Promising UV NLO Crystal Having Fluorine‐Directed Optimal Performances and Double Interpenetrating 3[B6O9F2]∞ Networks

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  42. The transformation of a zero-dimensional cluster into a one-dimensional chain structure achieving a dramatically enhanced birefringence in tin( ii )-based oxalates

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  43. Data Mining and Graph Network Deep Learning for Band Gap Prediction in Crystalline Borate Materials

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  44. Na2BaB12O18F4: A Mixed Alkali/Alkaline-Earth Metal Fluorooxoborate with Two Unprecedented Interpenetrating Three-Dimensional B–O/F Anionic Networks and a Short Ultraviolet Cutoff Edge

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  45. Effective third harmonic generation of 355 nm ultraviolet laser based on the borate-phosphate Ba 3 (ZnB 5 O 10 )PO 4 crystal

    Optical Materials Express · 2023-10-09

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  46. Fluorination strategy toward chemical and functional modification

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  47. Alkali-metal isocyanurate Cs 3 (H 2 C 3 N 3 O 3 ) 3 (H 3 C 3 N 3 O 3 )·3H 2 O: synthesis and characterization

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  48. Two Mixed Alkali Metal Isocyanurates with Wide Band Gap and Giant Birefringence

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  49. Review on birefringence in borates based on birefringence-active functional groups and arrangements

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  50. KSb2F7·2KNO3: Unveiling the peak birefringence in inorganic antimony oxysalts

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