In this paper, the practical measured X-ray diffraction, Fourier infrared absorption and laser Raman scattering spectra of heroin have been given. From the X-ray diffraction spectrum, it is found that the heroin belongs to the orthorhombic crystal system, and the basic vectors of the primitive cell are a=8.003, b=14.373, c=16.092×10-10 m. Based on the infrared absorption spectrum, the fundamental phonon energies of heroin are calculated: LO=0.0486, TO1=0.0555, TO2=0.0616, LA=0.0257, TA1=0.0097, TA2=0.0134 eV. Not only all of the Fourier infrared absorption peaks of the heroin consist of these elementary phonon energies in different combinations, but also every Raman backward scattering shift peaks of heroin consist of these elementary phonon energies in different combinations.