Evolutionary Algorithm Directed Synthesis of Mixed Anion Compounds LaF2X (X=Br, I) and LaFI2,Angewandte Chemie International Edition

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Evolutionary Algorithm Directed Synthesis of Mixed Anion Compounds LaF2X (X=Br, I) and LaFI2
Angewandte Chemie International Edition ( IF 16.1 ) Pub Date : 2023-04-18 , DOI: 10.1002/anie.202301416
Daichi Kato _{1,

2} , Peng Song ₃ , Hiroki Ubukata ₁ , Haruki Taguro ₁ , Cédric Tassel ₁ , Kohei Miyazaki ₁ , Takeshi Abe ₁ , Kousuke Nakano _{3,

4} , Kenta Hongo ₅ , Ryo Maezono ₃ , Hiroshi Kageyama ₁

Affiliation

This study demonstrates the evolutionary algorithm directed synthesis of mixed-anion compounds with LaF₂X and LaFX₂ (X=Br, I). The new structures share the structural features of the end phases LaF₃ and LaI₃, but with heteroleptic coordination environments around La, which could be beneficial for fluoride ion conductivity as shown theoretically.

中文翻译：

进化算法定向合成混合阴离子化合物LaF2X(X=Br,I)和LaFI2

_{本研究演示了使用 LaF 2} X 和 LaFX ₂ (X=Br, I)混合阴离子化合物的进化算法指导合成。新结构具有端相LaF ₃和LaI ₃的结构特征，但La周围具有杂配位环境，理论上表明这可能有利于氟离子电导率。

更新日期：2023-04-18

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