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RESEARCH PAPER · Journal of Materials Chemistry C · 2018

Ba 2 M(C 3 N 3 O 3 ) 2 (M = Mg, Ca): potential UV birefringent materials with strengthened optical anisotropy originating from the (C 3 N 3 O 3 ) 3− group

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Ba 2 M(C 3 N 3 O 3 ) 2 (M = Mg, Ca): potential UV birefringent materials with strengthened optical anisotropy originating from the (C 3 N 3 O 3 ) 3− groupOriginalBa3(C3N3O3)2: A New Phase of Barium Cyanurate Containing Parallel π-Conjugated Groups as a Birefringent Material Replacement for Calcite62“Two in one”: an unprecedented mixed anion, Ba 2 (C 3 N 3 O 3 )(CNO), with the coexistence of isolated sp and sp 2 π-conjugated groups15A new ultraviolet transparent hydra-cyanurate K 2 (C 3 N 3 O 3 H) with strong optical anisotropy from delocalized π-bonds56A rich structural chemistry in π-conjugated hydroisocyanurates: layered structures of A 2 B(H 2 C 3 N 3 O 3 ) 4 · n H 2 O (A = K, Rb, Cs; B = Mg, Ca; n = 4, 10) with high ultraviolet transparency and strong optical anisotropy47ABaSbQ 3 (A = Li, Na; Q = S, Se): diverse arrangement modes of isolated SbQ 3 ligands regulating the magnitudes of birefringences50Ag 7 TaSe 6 : a new noncentrosymmetric selenide with fascinating “three in one” coordination modes and a strong second harmonic generation response13Co-crystal LiCl·(H 3 C 3 N 3 O 3 ): a promising solar-blind nonlinear optical crystal with giant nonlinearity from coplanar π-conjugated groups78CO(NH 2 ) 2 ·NH 4 Cl: an ultraviolet birefringent material with conjugated CO groups16Intrinsic zero thermal expansion in cube cyanurate K 6 Cd 3 (C 3 N 3 O 3 ) 423LiO 4 tetrahedra lock the alignment of π-conjugated layers to maximize optical anisotropy in metal hydroisocyanurates44RE(H 2 C 3 N 3 O 3 ) 2 ·(OH)· x H 2 O (RE = La, Y and Gd): potential UV birefringent materials with strong optical anisotropy originating from the (H 2 C 3 N 3 O 3 ) − group31KLi(HC 3 N 3 O 3 )·2H 2 O: Solvent-drop Grinding Method toward the Hydro-isocyanurate Nonlinear Optical Crystal314Cs3Na(H2C3N3O3)4·3H2O: A Mixed Alkali‐Metal Hydroisocyanurate Nonlinear Optical Material Containing π‐Conjugated Six‐Membered‐Ring Units68Parallel Alignment of π-Conjugated Anions in Hydroisocyanurates Enhancing Optical Anisotropy25Ba2M(C3N3O3)2 (M = Sr, Pb): Band Engineering from p−π Interaction via Homovalent Substitution in Metal Cyanurates Containing Planar π-Conjugated Groups39Facile Growth of an Ultraviolet Hydroisocyanurate Crystal with Strong Nonlinearity and a Wide Phase-Matching Region from π-Conjugated (HC3N3O3)2– Groups45Ba 8 SrPb 24 O 24 Cl 18 : the first alkali-earth metal lead( ii ) oxyhalide with an intriguing multimember-ring layer9Growth and optical properties of a promising Deep-ultraviolet birefringent crystal Ba2Mg(BO3)236How To Maximize Birefringence and Nonlinearity of π-Conjugated Cyanurates327“Old dog, new tricks”: the lone pair effect inducing divergent optical responses in lead cyanurates containing π-bonds18Structural Diversity and Giant Birefringence in Cyanates BaCNOX (X = Cl, Br, I, and CNO) Containing Linear π-Conjugated Units: A Combined Experimental and Theoretical Study132(C 3 H 7 N 6 ) + ·2Cl − ·H 2 O: an ultraviolet nonlinear optical crystal with large birefrigence and strong second-harmonic generation78Facile synthesis of cesium trithiocyanurate with high ionic conductivity and large birefringence properties17Hydroisocyanurates X 2 Y(H 2 C 3 N 3 O 3 ) 4 ·4H 2 O (X = K, Cs; Y = Zn, Cd) with large birefringence stemming from π-conjugated (H 2 C 3 N 3 O 3 ) − anions28K 4 Cu 3 (C 3 N 3 O 3 ) 2 X (X = Cl, Br): strong anisotropic layered semiconductors containing mixed p–p and d–p conjugated π-bonds7Optimal arrangement of π-conjugated anionic groups in hydro-isocyanurates leads to large optical anisotropy and second-harmonic generation effect42Second-order nonlinear optical materials with a benzene-like conjugated π system49Molecular Construction from AgGaS 2 to CuZnPS 4 : Defect-Induced Second Harmonic Generation Enhancement and Cosubstitution-Driven Band Gap Enlargement96An Exceptional Peroxide Birefringent Material Resulting from d–π Interactions99An Exceptional Peroxide Birefringent Material Resulting from d–π Interactions15New Alkaline-Earth Metal Fluoroiodates Exhibiting Large Birefringence and Short Ultraviolet Cutoff Edge with Highly Polarizable (IO 3 F) 2– Units63A(H3C3N3O3)(NO3) (A = K, Rb): Alkali-Metal Nitrate Isocyanurates with Strong Optical Anisotropy47Series of Crystals with Giant Optical Anisotropy: A Targeted Strategic Research19Series of Crystals with Giant Optical Anisotropy: A Targeted Strategic Research140Mechanochemical Synthesis of an Ionic Cocrystal with Large Birefringence Resulting from Neutral Planar π-Conjugated Groups26The synthesis, characterization, and theoretical analysis of (NH 4 ) 3 PbCl 52A melamine-based organic–inorganic hybrid material revealing excellent optical performance and moderate thermal stability75A new acentric borate–nitrate Cs 3 B 8 O 13 (NO 3 ) with interpenetrating porous 3D covalent and ionic lattices8Co-crystal AX·(H 3 C 3 N 3 O 3 ) (A = Na, Rb, Cs; X = Br, I): a series of strongly anisotropic alkali halide cyanurates with a planar structural motif and large birefringence13K 2 Pb(H 2 C 3 N 3 O 3 ) 4 (H 2 O) 4 : a potential UV nonlinear optical material with large birefringence50Sn 14 O 11 Br 6 : a promising birefringent material with a [Sn 14 O 11 Br 6 ] layer26Two metal-free cyanurate crystals with a large optical birefringence resulting from the combination of π-conjugated units17The First Positive Uniaxial Cyanurate Crystals Containing a Crown-like Anionic Group Arrangement and Strengthened Optical Anisotropy17Cyanurates consisting of intrinsic planar π-conjugated 6-membered rings: An emerging source of optical functional materials111Cs2ZnSn3S8: A Sulfide Compound Realizes a Large Birefringence by Modulating the Dimensional Structure24AZn4(OH)4(C3N3O3)2 (A = Mg, Zn): Two Zn-Based Cyanurate Crystals with Various Cation Coordination and Large Birefringence22Synthesis and Characterization of New-Type Ionic Cocrystals with Cyanuric Acid and Alkali Halides: AX·(H3C3N3O3)2 (A = Rb, Cs; X = Cl, Br)6Sn 9O 4Br 9X (X = Cl, Br): Two New Sn(II) Oxyhalides Exhibiting Large Birefringence Derived from Highly Distortive Polyhedra of Lone Pair Cations0From Pb(H 2 C 3 N 3 O 3 )(OH) to Pb(H 2 C 3 N 3 O 3 )F: Homovalent Anion Substitution-Induced Band Gap Enlargement and Birefringence Enhancement26First-principles study of the influence of lone pair electrons and molecular groups on the birefringence of phosphate and fluorophosphate13Potential optical functional crystals with large birefringence: Recent advances and future prospects322Cd4InO(BO3)3: A New Nonlinear Optical Crystal Exhibiting Strong Second Harmonic Generation Effect and Moderate Birefringence2Maximizing the linear and nonlinear optical responses of alkaline tricyanomelaminate28Noncentrosymmetric (C3H7N6)6(H2PO4)4(HPO4)·4H2O and Centrosymmetric (C3H7N6)2SO4·2H2O: Exploration of Acentric Structure by Combining Planar and Tetrahedral Motifs via Hydrogen Bonds37Hg2P2S6: A layered mercury hexathiodiphosphate (IV) with large birefringence11Linear π-conjugated units of the D ∞h point group as superior ultraviolet birefringent units1The transformation of a zero-dimensional cluster into a one-dimensional chain structure achieving a dramatically enhanced birefringence in tin( ii )-based oxalates33Ultrastable 3D cage-like metal–organic frameworks constructed using polydentate cyanurate ligands and their gas adsorption properties6Two Carboxylate-Cyanurates with Strong Optical Anisotropy and Large Band Gaps6α-BBO-like π-Conjugated Crystal with Large Birefringence16Sn9O4Br9X (X = Cl, Br): Two new Sn(II) oxyhalides exhibiting large birefringence derived from highly distortive polyhedra of lone pair cations9Cs 2 Mg(H 2 C 3 N 3 S 3 ) 4 ·8H 2 O: An Excellent Birefringent Material with Giant Optical Anisotropy in π-Conjugated Trithiocyanurate19C 8 H 6 IN 3 O 4 : a birefringent crystal induced by uniformly aligned hybrid groups10Two Short-Wave UV Antimony(III) Sulfates Exhibiting Large Birefringence18A Noncentrosymmetric Metal‐Free Borophosphate: Achieving a Large Birefringence and Excellent Stability by Covalent‐Linkage27Noncentrosymmetric Crystal [C10H8NO2]2SiF6·H2O with Large Birefringence12Sulfate Derivatives with Heteroleptic Tetrahedra: New Deep‐Ultraviolet Birefringent Materials in which Weak Interactions Modulate Functional Module Ordering61Sulfate Derivatives with Heteroleptic Tetrahedra: New Deep‐Ultraviolet Birefringent Materials in which Weak Interactions Modulate Functional Module Ordering4[C8H6BrN2O]Cl and [C8H6IN2O]Cl: Two birefringent crystals with π-conjugated quinazoline groups2Unveiling Charge Dependent Law to Enhance Birefringence in 2‐Aminopyrimidine Family21Optimizing optical anisotropy in low-dimensional structures via intralayer hydrogen bonding modulation and anionic substitution17Sr2Zn(C3N3O3)2: An Alkaline Earth and d10 Transition Metal Based Ultraviolet Cyanurate with Large Birefringence6Tuning Birefringence in Supramolecular Mg-PDA Frameworks: Modulating Bonding and Layer Connectivity0Decoupling the SHG‐Birefringence Trade‐off in UV NLO Materials via Triple‐Control Coordination Engineering: Achieving Synergistic Performance Optimization88Decoupling the SHG‐Birefringence Trade‐off in UV NLO Materials via Triple‐Control Coordination Engineering: Achieving Synergistic Performance Optimization13[CON3H6BF4]: An Efficient Metal‐Free Borate with Optimized Birefringence Achieved by Structural Design Strategy15The Layered Structure–Induced Enhanced Birefringence of LiMgPO 4 : A First‐Principles Investigation1Achieving the birefringence-bandgap trade-off: Hydrogen-bond engineered biuret-cyanurate14A one-pot method in water to synthesize a new cyanurate K(H 2 C 3 N 3 O 3 )·H 2 O with large birefringence2High‐Throughput Discovery of Large Birefringence Materials in Mixed‐N Hf‐O Systems0Achieving Ultra‐High Optical Anisotropy via Structural Regulation and Coplanar Engineering of Extended π‐Conjugated [H 2–x C 3 N 3 S 3 ] (x = 1, 2) Groups3The condensation of π-conjugated units: a new paradigm for designing high-performance optical crystals4Ferroelectric Metal–Organic Frameworks as Wide Band Gap Materials0

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  1. Ba3(C3N3O3)2: A New Phase of Barium Cyanurate Containing Parallel π-Conjugated Groups as a Birefringent Material Replacement for Calcite

    Crystal Growth & Design · 2018-12-28

    Jian Tang, Fei Liang, Xianghe Meng, Kaijin Kang, Wenlong Yin, Tixian Zeng, Mingjun Xia, Zheshuai Lin, Jiyong Yao, Guochun Zhang, Bin Kang

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  2. “Two in one”: an unprecedented mixed anion, Ba 2 (C 3 N 3 O 3 )(CNO), with the coexistence of isolated sp and sp 2 π-conjugated groups

    Dalton Transactions · 2019-01-01

    Jian Tang, Fei Liang, Xianghe Meng, Kaijin Kang, Tixian Zeng, Wenlong Yin, Mingjun Xia, Zheshuai Lin, Bin Kang

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  3. A new ultraviolet transparent hydra-cyanurate K 2 (C 3 N 3 O 3 H) with strong optical anisotropy from delocalized π-bonds

    Dalton Transactions · 2019-01-01

    Naizheng Wang, Fei Liang, Yi Jin Yang, Shengzi Zhang, Zheshuai Lin

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  4. A rich structural chemistry in π-conjugated hydroisocyanurates: layered structures of A 2 B(H 2 C 3 N 3 O 3 ) 4 · n H 2 O (A = K, Rb, Cs; B = Mg, Ca; n = 4, 10) with high ultraviolet transparency and strong optical anisotropy

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    Xianghe Meng, Fei Liang, Kaijin Kang, Jian Tang, Qian Huang, Wenlong Yin, Zheshuai Lin, Mingjun Xia

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  5. ABaSbQ 3 (A = Li, Na; Q = S, Se): diverse arrangement modes of isolated SbQ 3 ligands regulating the magnitudes of birefringences

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    Ailijiang Abudurusuli, Kui Wu, Abudukadi Tudi, Zhihua Yang, Shilie Pan

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

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  7. Co-crystal LiCl·(H 3 C 3 N 3 O 3 ): a promising solar-blind nonlinear optical crystal with giant nonlinearity from coplanar π-conjugated groups

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

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  9. Intrinsic zero thermal expansion in cube cyanurate K 6 Cd 3 (C 3 N 3 O 3 ) 4

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  10. LiO 4 tetrahedra lock the alignment of π-conjugated layers to maximize optical anisotropy in metal hydroisocyanurates

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    Xianghe Meng, Fei Liang, Jian Tang, Kaijin Kang, Wenlong Yin, Tixian Zeng, Bin Kang, Zheshuai Lin, Mingjun Xia

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  11. RE(H 2 C 3 N 3 O 3 ) 2 ·(OH)· x H 2 O (RE = La, Y and Gd): potential UV birefringent materials with strong optical anisotropy originating from the (H 2 C 3 N 3 O 3 ) − group

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    Xia Hao, Min Luo, Chensheng Lin, Donghong Lin, Liling Cao, Ning Ye

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  12. KLi(HC 3 N 3 O 3 )·2H 2 O: Solvent-drop Grinding Method toward the Hydro-isocyanurate Nonlinear Optical Crystal

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  13. Cs3Na(H2C3N3O3)4·3H2O: A Mixed Alkali‐Metal Hydroisocyanurate Nonlinear Optical Material Containing π‐Conjugated Six‐Membered‐Ring Units

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  14. Parallel Alignment of π-Conjugated Anions in Hydroisocyanurates Enhancing Optical Anisotropy

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  15. Ba2M(C3N3O3)2 (M = Sr, Pb): Band Engineering from p−π Interaction via Homovalent Substitution in Metal Cyanurates Containing Planar π-Conjugated Groups

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    Kaijin Kang, Fei Liang, Xianghe Meng, Jian Tang, Tixian Zeng, Wenlong Yin, Mingjun Xia, Zheshuai Lin, Bin Kang

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  16. Facile Growth of an Ultraviolet Hydroisocyanurate Crystal with Strong Nonlinearity and a Wide Phase-Matching Region from π-Conjugated (HC3N3O3)2– Groups

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  17. Ba 8 SrPb 24 O 24 Cl 18 : the first alkali-earth metal lead( ii ) oxyhalide with an intriguing multimember-ring layer

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  18. Growth and optical properties of a promising Deep-ultraviolet birefringent crystal Ba2Mg(BO3)2

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  19. How To Maximize Birefringence and Nonlinearity of π-Conjugated Cyanurates

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  20. “Old dog, new tricks”: the lone pair effect inducing divergent optical responses in lead cyanurates containing π-bonds

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  21. Structural Diversity and Giant Birefringence in Cyanates BaCNOX (X = Cl, Br, I, and CNO) Containing Linear π-Conjugated Units: A Combined Experimental and Theoretical Study

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  22. 2(C 3 H 7 N 6 ) + ·2Cl − ·H 2 O: an ultraviolet nonlinear optical crystal with large birefrigence and strong second-harmonic generation

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  24. Hydroisocyanurates X 2 Y(H 2 C 3 N 3 O 3 ) 4 ·4H 2 O (X = K, Cs; Y = Zn, Cd) with large birefringence stemming from π-conjugated (H 2 C 3 N 3 O 3 ) − anions

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  25. K 4 Cu 3 (C 3 N 3 O 3 ) 2 X (X = Cl, Br): strong anisotropic layered semiconductors containing mixed p–p and d–p conjugated π-bonds

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  26. Optimal arrangement of π-conjugated anionic groups in hydro-isocyanurates leads to large optical anisotropy and second-harmonic generation effect

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

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  28. Molecular Construction from AgGaS 2 to CuZnPS 4 : Defect-Induced Second Harmonic Generation Enhancement and Cosubstitution-Driven Band Gap Enlargement

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  29. An Exceptional Peroxide Birefringent Material Resulting from d–π Interactions

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  30. An Exceptional Peroxide Birefringent Material Resulting from d–π Interactions

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  31. 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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  32. A(H3C3N3O3)(NO3) (A = K, Rb): Alkali-Metal Nitrate Isocyanurates with Strong Optical Anisotropy

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  33. Series of Crystals with Giant Optical Anisotropy: A Targeted Strategic Research

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  34. Series of Crystals with Giant Optical Anisotropy: A Targeted Strategic Research

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  35. Mechanochemical Synthesis of an Ionic Cocrystal with Large Birefringence Resulting from Neutral Planar π-Conjugated Groups

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  36. The synthesis, characterization, and theoretical analysis of (NH 4 ) 3 PbCl 5

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  37. A melamine-based organic–inorganic hybrid material revealing excellent optical performance and moderate thermal stability

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  38. A new acentric borate–nitrate Cs 3 B 8 O 13 (NO 3 ) with interpenetrating porous 3D covalent and ionic lattices

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  39. Co-crystal AX·(H 3 C 3 N 3 O 3 ) (A = Na, Rb, Cs; X = Br, I): a series of strongly anisotropic alkali halide cyanurates with a planar structural motif and large birefringence

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  40. K 2 Pb(H 2 C 3 N 3 O 3 ) 4 (H 2 O) 4 : a potential UV nonlinear optical material with large birefringence

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

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  42. Two metal-free cyanurate crystals with a large optical birefringence resulting from the combination of π-conjugated units

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  43. The First Positive Uniaxial Cyanurate Crystals Containing a Crown-like Anionic Group Arrangement and Strengthened Optical Anisotropy

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  44. Cyanurates consisting of intrinsic planar π-conjugated 6-membered rings: An emerging source of optical functional materials

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  45. Cs2ZnSn3S8: A Sulfide Compound Realizes a Large Birefringence by Modulating the Dimensional Structure

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  46. AZn4(OH)4(C3N3O3)2 (A = Mg, Zn): Two Zn-Based Cyanurate Crystals with Various Cation Coordination and Large Birefringence

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  47. Synthesis and Characterization of New-Type Ionic Cocrystals with Cyanuric Acid and Alkali Halides: AX·(H3C3N3O3)2 (A = Rb, Cs; X = Cl, Br)

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  48. Sn 9O 4Br 9X (X = Cl, Br): Two New Sn(II) Oxyhalides Exhibiting Large Birefringence Derived from Highly Distortive Polyhedra of Lone Pair Cations

    SSRN Electronic Journal · 2022-01-01

    Mei Ying Hu, Chenchen Tu, Zhihua Yang, Shujuan Han, Shilie Pan

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  49. From Pb(H 2 C 3 N 3 O 3 )(OH) to Pb(H 2 C 3 N 3 O 3 )F: Homovalent Anion Substitution-Induced Band Gap Enlargement and Birefringence Enhancement

    Inorganic Chemistry · 2022-01-11

    Yan Chen, Chun‐Li Hu, Zhi Gang Fang, Yilin Li, Jiang‐Gao Mao

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  50. First-principles study of the influence of lone pair electrons and molecular groups on the birefringence of phosphate and fluorophosphate

    Physica B Condensed Matter · 2022-01-18

    Yanyan Qian, Qun Jing, Haiming Duan, Ming‐Hsien Lee, Haibin Cao

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