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Double ReO3-type fluorides have a great interest in the field of negative thermal expansion (NTE) and luminescent materials. However, their application is limited by the scarcity of quantity, expensive raw materials, and harsh preparation conditions. In this work we have found a new NTE material, CaSnF6, by applying the concept of the average atomic volume. More importantly, different from the previous solid-phase sintering and direct fluorination methods, the nano CaSnF6 has been synthesized for the first time by solvothermal method. The results of X-ray diffraction (XRD) and Raman spectroscopy show that a phase transition occurs from rhombohedral (
This work was supported by the National Natural Science Foundation of China (Nos. 22071221 and 21905252) and Natural Science Foundation of Henan Province (Nos. 212300410086, 222301420040 and 222300420325). All calculations were supported by the National Supercomputing Center in Zhengzhou.