To explore the crystal habits of β-HMX in acetone, we prepared β-HMX single crystals by solvent evaporation method and applied powder X-ray diffractions to determine all the crystal surfaces, using powder GeO₂ as the internal standard sample for the refinement and the zero shift correction. A model was established for the crystal habit of β-HMX in acetone and compared to those reported in literature. The crystal surface of β-HMX are indexed as (1 0 0), (0 1 1), (-1 1 1) and (0 2 0). Among them, the (1 0 0) crystal face is the largest one, following by (1 1 0) and (-1 1 1) and (0 2 0), which consists with the theoretical calculated AE model with solvent effect correction. Because of the weak interactions with acetone molecules, (1 1 0) and (0 2 0) crystal faces disappeared gradually during the crystal growth process, which indicates the solvent environment has significant effect on the morphology of β-HMX.