Determination of the hydrogen-bond network and the ferrimagnetic structure of a rockbridgeite-type compound, Fe2+Fe3.23+(Mn2+,Zn)0.8(PO4)3(OH)4.2(HOH)0.8
Determination of the hydrogen-bond network and the ferrimagnetic structure of a rockbridgeite-type compound, Fe2+Fe3.23+(Mn2+,Zn)0.8(PO4)3(OH)4.2(HOH)0.8
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岩桥石型化合物 Fe2 Fe3.23 (Mn2 ,Zn)0.8(PO4)3(OH)4.2(HOH)0.8 的氢键网络和亚铁磁结构的测定
DOI：
10.1088/1361-648x/aac0cd
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发表时间：
2018
期刊：
影响因子：
--
通讯作者：
T. Kimura
中科院分区：
文献类型：
--
作者：
B. Röska;S.;D. Behal;K. Hess;A. Günther;G. Benka;C. Pfleiderer;M. Hoelzel;T. Kimura
应用中子粉末衍射，确定了岩桥岩型化合物中四个独特的氢位置。其蜂窝状的氢键网络沿着结晶轴不间断地运行，类似于碱硫酸氢氧化物和砷氢氧化物。它们提供了所谓的动态无序氢键网络，在这种网络上质子在载体机制中是超导的。在室温下，介电常数和损耗因子的急剧增加表明了这一点。氢氧根和氢氧根的静态和动态无序的相关性可以用阳离子交替占据的八面体链上的大量结构缺陷来解释。该结构是由不寻常的八面体双、三重和四重奏团簇组成的共价三维过渡金属阳离子，预测了复杂的磁有序和相互作用。用25 K的中子衍射数据进行结构分析，可以确定居里温度-83 K以下的铁磁结构。
Applying neutron powder diffraction, four unique hydrogen positions were determined in a rockbridgeite-type compound, . Its honeycomb-like H-bond network running without interruption along the crystallographic axis resembles those in alkali sulphatic and arsenatic oxyhydroxides. They provide the so-called dynamically disordered H-bond network over which protons are superconducting in a vehicle mechanism. This is indicated by dramatic increases of dielectric constant and loss factor at room temperature. The relevance of static and dynamic disorder of OH and HOH groups are explained in terms of a high number of structural defects at octahedral chains alternatingly half-occupied by cations. The structure is built up by unusual octahedral doublet, triplet, and quartet clusters of aliovalent 3d transition metal cations, predicting complicate magnetic ordering and interaction. The ferrimagnetic structure below the Curie temperature –83 K could be determined from the structure analysis with neutron diffraction data at 25 K.