Skip to main content
U.S. flag

An official website of the United States government

Official websites use .gov
A .gov website belongs to an official government organization in the United States.

Secure .gov websites use HTTPS
A lock ( ) or https:// means you’ve safely connected to the .gov website. Share sensitive information only on official, secure websites.

Effect of H2O Molecules on Thermal Expansion of TiCo(CN)6



Qilong Gao, Xinwei Shi, Alessandro Venier, Qingzhen Huang, Hui Wu, Jun Chen, Andrea Sanson, Erjun Liang


The understanding of the role of guest molecules in the lattice void of open-framework structures is vital for thermal expansion tailoring. Here, we take a new NTE compound, TiCo(CN)6 as a case study from the local structure perspective to investigate the effect of H2O molecules on the thermal expansion. The in-situ SXRD re-sults showed that the as-prepared TiCo(CN)6⋅2H2O has near zero thermal expansion behavior (100-300 K) while TiCo(CN)6 without water in the lattice void exhibits a linear NTE (αl=-4.05×10-6K-1, 100-475 K). Combined with the results of extended X-ray absorption fine structure, it is found that the intercalation of H2O molecules has the clear effect of inhibiting the transverse thermal vibrations of Ti-N bonds, while the effect on Co-C bonds is negligible. The present work displays the inhibition mechanism of H2O molecules in the thermal expansion of TiCo(CN)6, which also provides insight in the thermal expansion control of other NTE compounds with open-framework structures.
Inorganic Chemistry


Thermal expansion, diffraction, negative thermal expansion


Gao, Q. , Shi, X. , Venier, A. , Huang, Q. , Wu, H. , Chen, J. , Sanson, A. and Liang, E. (2020), Effect of H<sub>2</sub>O Molecules on Thermal Expansion of TiCo(CN)<sub>6</sub>, Inorganic Chemistry (Accessed May 18, 2024)


If you have any questions about this publication or are having problems accessing it, please contact

Created October 18, 2020, Updated August 30, 2021