Hexagonal Perovskite Ba4Fe3NiO12 Containing Tetravalent Fe and Ni Ions
Hexagonal Perovskite Ba4Fe3NiO12 Containing Tetravalent Fe and Ni Ions
复制标题
含有四价 Fe 和 Ni 离子的六方钙钛矿 Ba4Fe3NiO12
DOI：
10.1021/acs.inorgchem.8b01618
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发表时间：
2018
期刊：
影响因子：
4.6
通讯作者：
and Y. Shimakawa
中科院分区：
文献类型：
--
作者：
Z. Tan;T. Saito;F. D. Romero;M. Amano Patino;M. Goto;W.-T. Chen;Y.-C. Chuang;H.-S. Sheu;and Y. Shimakawa
合成了端元分别为BaNiO_3(x=0)和BaFeO_3(x=1)的六方钙钛矿结构的BaFexNi1-xO3，并对其晶体结构进行了研究。新的单相Ba4Fe3NiO12(x=0.75)具有稳定的12R钙钛矿结构，空间群为R3̅m(a=5.66564(7)？，c=27.8416(3)？)MöSSbauer谱和同步加速器和中子粉末衍射数据的结构分析表明，标称的Fe~(3+)占据了三聚体的八面体共角位置，而反常高价的Fe4+和Ni~(4+)占据了共面八面体位置，给出了Ba4Fe3+Fe4+2Ni4+O11.5的电荷公式。并对该化合物的磁性进行了讨论。
BaFexNi1–xO3with end members of BaNiO3(x= 0) and BaFeO3(x= 1), which, respectively, adopt the 2H and 6H hexagonal perovskite structures, were synthesized, and their crystal structures were investigated. A new single phase, Ba4Fe3NiO12(x= 0.75), that adopts the 12R perovskite structure with the space groupR3̅m(a= 5.66564(7) Å andc= 27.8416(3) Å), was found to be stabilized. Mössbauer spectroscopy results and structure analysis using synchrotron and neutron powder diffraction data revealed that nominal Fe3+occupies the corner-sharing octahedral site while the unusually high valence Fe4+and Ni4+occupy the face-sharing octahedral sites in the trimers, giving a charge formula of Ba4Fe3+Fe4+2Ni4+O11.5. The magnetic properties of the compound are also discussed.