Lithium hexafluorophosphate is the most commonly used electrolyte in lithium-ion power batteries; this dataset includes the main raw materials, auxiliary materials, energy sources, atmospheric emissions, water emissions, and waste from the production process. Infrastructure such as production equipment, plant construction, etc., are not included within the dataset boundary; the data inventory is derived from literature data; the processes of lithium hexafluorophosphate production include fluorination, synthesis, crystallization separation, drying, and other steps.