Among the transition metal oxides, the Mn3O4 nanostructure possesses high theoretical specific capacity and lower operating voltage. However, the low electrical conductivity of Mn3O4 decreases its specific capacity and restricts its application in the energy conversion and energy storage. In this work, well-shaped, octahedron-like Mn3O4 nanocrystals were prepared by one-step hydrothermal reduction method. Field emission scanning electron microscope, energy dispersive spectrometer, X-ray diffractometer, X-ray photoelectron spectrometer, high resolution transmission electron microscopy, and Fourier transformation infrared spectrometer were applied to characterize the morphology, the structure, and the composition of formed product. The growth mechanism of Mn3O4 nano-octahedron was studied. Cyclic voltammograms, galvanostatic charge–discharge, electrochemical impedance spectroscopy, and rate performance were used to study the electrochemical properties of obtained samples. The experimental results indicate that the component of initial reactants can influence the morphology and composition of the formed manganese oxide. At the current density of 1.0 A g−1, the discharge specific capacity of as-prepared Mn3O4 nano-octahedrons maintains at about 450 mAh g−1 after 300 cycles. This work proves that the formed Mn3O4 nano-octahedrons possess an excellent reversibility and display promising electrochemical properties for the preparation of lithium-ion batteries.