Actions for Atomic Linkage Flexibility Tuned Isotropic Negative, Zero, and Positive Thermal Expansion in MZrF<sub>6<

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Atomic Linkage Flexibility Tuned Isotropic Negative, Zero, and Positive Thermal Expansion in MZrF<sub>6</sub> (M = Ca, Mn, Fe, Co, Ni, and Zn) [electronic resource].

Published
Beijing, China : National Natural Science Foundation of China (NSFC), 2016.
Oak Ridge, Tenn. : Distributed by the Office of Scientific and Technical Information, U.S. Dept. of Energy
Physical Description
pages 14,530-14,533 : digital, PDF file
Additional Creators
Argonne National Laboratory, National Natural Science Foundation of China (NSFC), United States. Department of Energy. Office of Basic Energy Sciences, and United States. Department of Energy. Office of Scientific and Technical Information
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Summary
The controllable isotropic thermal expansion with a broad coefficient of thermal expansion (CTE) window is intriguing but remains challenge. Herein we report a cubic MZrF6 series (M = Ca, Mn, Fe, Co, Ni and Zn), which exhibit controllable thermal expansion over a wide temperature range and with a broader CTE window (–6.69 to +18.23 × 10–6/K). In particular, an isotropic zero thermal expansion (ZTE) is achieved in ZnZrF6, which is one of the rarely documented hightemperature isotropic ZTE compounds. By utilizing temperature dependent high-energy synchrotron X-ray total scattering diffraction, it is found that the flexibility of metal···F atomic linkages in MZrF6 plays a critical role in distinct thermal expansions. The flexible metal···F atomic linkages induce negative thermal expansion (NTE) for CaZrF6, whereas the stiff ones bring positive thermal expansion (PTE) for 6. Thermal expansion could be transformed from striking negative, to zero, and finally to considerable positive though tuning the flexibility of metal···F atomic linkages by substitution with a series of cations on M sites of MZrF6. In conclusion, the present study not only extends the scope of NTE families and rare high-temperature isotropic ZTE compounds but also proposes a new method to design systematically controllable isotropic thermal expansion frameworks from the perspective of atomic linkage flexibility.
Report Numbers
E 1.99:1393263
Subject(s)
Note
Published through SciTech Connect.
10/26/2016.
"137696"
Journal of the American Chemical Society 138 44 ISSN 0002-7863 AM
Lei Hu; Jun Chen; Jiale Xu; Na Wang; Fei Han; Yang Ren; Zhao Pan; Yangchun Rong; Rongjin Huang; Jinxia Deng; Laifeng Li; Xianran Xing.
Funding Information
AC02-06CH11357
View MARC record | catkey: 24043657