Engineering crystal orientation has attracted widespread attention since it is related to the cyclability and rate performance of cathode materials for lithium‐ion batteries (LIBs). Regulating the crystal directional growth with optimal exposed crystal facets is an effective strategy to improve the performance of cathode materials, but still lacks sufficient attention in research field. Herein, we briefly introduce the characterization techniques and identification methods for crystal facets, then summarize and illuminate the major methods for regulating crystal orientation and their internal mechanism. Furthermore, the optimization strategies for layered‐, spinel‐, and olivine‐structure cathodes are discussed based on the characteristic of crystal structure, and the relationship between exposure of special crystal facets and lithium storage performance is deeply analyzed, which could guide the rational design of cathodes for LIBs.