Mg₂Mo₃O₈ was synthesized by a solid-phase method in a high vacuum atmosphere. According to the combination of ICP-AES technique and Rietveld analysis for synchrotron X-ray and neutron diffraction patterns, the structure and composition of the synthesized material was identified as single phase of the layered Mg₂Mo₃O₈ of P6₃mc space-group. Charge and discharge cycle tests showed that Mg₂Mo₃O₈ with carbon composite exhibited 18 and 89 mAh g⁻¹ of initial charge and discharge capacities at 90 °C. Reversible charge/discharge behavior was confirmed up to 5 cycles. Electrochemical demagnesiation using Li anode showed deintercalation of 0.45 Mg²⁺ pfu. The valence of the Mo in synthesized material was determined by XAFS, whose spectrum at the Mo K-edge confirmed the reductive synthesis of Mg₂Mo₃O₈ because of not hexavalent but reduced tetravalent Mo. Since the Mo K-edge XANES spectrum after first charge was oxidized from tetravalent, it was revealed that the Mg₂Mo₃O₈ could electrochemically demagnesiate in the present cell-condition using [Mg(G4)][TFSA]₂/[PYR₁₃][TFSA] electrolyte. The PDF data from synchrotron X-ray total scattering was used to analyze the local structure. The local structure leads to the Mg hopping route in Mg₂Mo₃O₈, where tetrahedrally coordinated Mg hops via octahedral site.

Mg ₂ Mo ₃ O ₈在高真空气氛下通过固相法合成。通过ICP-AES技术和Rietveld分析相结合的同步辐射X射线和中子衍射图谱，鉴定出合成材料的结构和组成为P 6 ₃ mc空间层状Mg ₂ Mo ₃ O ₈的单相。-组。充电和放电循环测试表明，具有碳复合材料的Mg ₂ Mo ₃ O ₈表现出18和89 mAh g ^-190°C时的初始充放电容量。确认了最多5个循环的可逆充电/放电行为。使用锂阳极进行的电化学脱镁显示出0.45 Mg ²⁺ pfu的脱嵌。XAFS确定了合成材料中Mo的化合价，该XAFS在Mo K边缘的光谱证实了Mg ₂ Mo ₃ O ₈的还原合成，因为它不是六价的，而是还原的四价Mo。第一次电荷被四价氧化，结果表明，在当前的电池条件下，使用[Mg（G4）] [TFSA] ₂ / [PYR ₁₃ ]可以使Mg ₂ Mo ₃ O ₈电化学脱镁。] [TFSA]电解质。来自同步加速器X射线总散射的PDF数据用于分析局部结构。局部结构导致Mg ₂ Mo ₃ O _8中的Mg跃迁路径，其中Mg跃点通过八面体位点进行四面体配位。