反铁磁性
化学
结晶学
结构精修
八面体
中子衍射
晶体结构
粉末衍射
顺磁性
衍射
大气温度范围
凝聚态物理
光学
物理
气象学
作者
Callista M. Skaggs,Peter Siegfried,Chang‐Jong Kang,Craig Brown,Chen Fu,Lu Ma,Steven N. Ehrlich,Yan Xin,Mark Croft,Wenqian Xu,Saul H. Lapidus,Nirmal Ghimire,Xiaoyan Tan
出处
期刊:Inorganic Chemistry
[American Chemical Society]
日期:2021-11-04
卷期号:60 (22): 17201-17211
被引量:1
标识
DOI:10.1021/acs.inorgchem.1c02535
摘要
A polycrystalline iridate Li8IrO6 material was prepared via heating Li2O and IrO2 starting materials in a sealed quartz tube at 650 °C for 48 h. The structure was determined from Rietveld refinement of room-temperature powder neutron diffraction data. Li8IrO6 adopts the nonpolar space group R3̅ with Li atoms occupying the tetrahedral and octahedral sites, which is supported by the electron diffraction and solid-state 7Li NMR. This results in a crystal structure consisting of LiO4 tetrahedral layers alternating with mixed IrO6 and LiO6 octahedral layers along the crystallographic c-axis. The +4 oxidation state of Ir4+ was confirmed by near-edge X-ray absorption spectroscopy. An in situ synchrotron X-ray diffraction study of Li8IrO6 indicates that the sample is stable up to 1000 °C and exhibits no structural transitions. Magnetic measurements suggest long-range antiferromagnetic ordering with a Néel temperature (TN) of 4 K, which is corroborated by heat capacity measurements. The localized effective moment μeff (Ir) = 1.73 μB and insulating character indicate that Li8IrO6 is a correlated insulator. First-principles calculations support the nonpolar crystal structure and reveal the insulating behavior both in paramagnetic and antiferromagnetic states.
科研通智能强力驱动
Strongly Powered by AbleSci AI