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Novel ternary AgIICoIIIF5 fluoride: synthesis, structure and magnetic characteristics
Dalton Transactions ( IF 4 ) Pub Date : 2024-04-26 , DOI: 10.1039/d4dt00419a
Daniel Jezierski 1 , Zoran Mazej 2 , Wojciech Grochala 1
Affiliation  

We present a new compound in the silver–cobalt-fluoride system, featuring paramagnetic silver (d9) and high-spin cobalt (d6), synthesized by solid-state method in an autoclave under F2 overpressure. Based on powder X-ray diffraction, we determined that AgIICoIIIF5 crystallizes in a monoclinic system with space group C2/c. The calculated fundamental band-gap falls in the visible range of the electromagnetic spectrum, and the compound has the character of charge-transfer insulator. AgCoF5 is likely a ferrimagnet with one predominant superexchange magnetic interaction constant between mixed spin cations (Ag–Co) of −62 meV (SCAN result). Magnetometric measurements conducted on a powdered sample allowed the identification of a transition at 128 K, which could indicate magnetic ordering.

中文翻译:

新型三元AgIICoIIIF5氟化物:合成、结构和磁特性

我们提出了一种银-钴-氟化物体系中的新化合物,具有顺磁性银 (d 9 ) 和高自旋钴 (d 6 ),是在 F 2超压下在高压釜中通过固态方法合成的。基于粉末X射线衍射,我们确定Ag II Co III F 5结晶为空间群C 2/ c的单斜晶系。计算得到的基本带隙落在电磁波谱的可见光范围内,该化合物具有电荷转移绝缘体的特性。 AgCoF 5可能是一种亚铁磁体,混合自旋阳离子 (Ag-Co) 之间的主要超交换磁相互作用常数为 -62 meV(扫描结果)。对粉末样品进行的磁力测量可以识别 128 K 的转变,这可以表明磁序。
更新日期:2024-04-26
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