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Intrinsic zero thermal expansion in cube cyanurate K6Cd3(C3N3O3)4

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Abstract

Zero thermal expansion (ZTE) materials are rare, but have intriguing properties which can be used in precise optical devices to prevent thermal fluctuation. Here, a new cube ZTE compound K6Cd3(C3N3O3)4, composed of conjugated [C3N3] rigid six-membered-rings and [CdN4] tetrahedra, has been reported for the first time. Its thermal expansion coefficient is as small as 0.06 MK−1, which is one-order of magnitude lower than that of the commercially available Invar alloy. In addition, the ZTE mechanism was elucidated using first-principles calculations.

Graphical abstract: Intrinsic zero thermal expansion in cube cyanurate K6Cd3(C3N3O3)4

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Publication details

The article was received on 14 Jun 2019, accepted on 12 Jul 2019 and first published on 15 Jul 2019


Article type: Research Article
DOI: 10.1039/C9QI00709A
Inorg. Chem. Front., 2019, Advance Article

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    Intrinsic zero thermal expansion in cube cyanurate K6Cd3(C3N3O3)4

    M. Xia, F. Liang, X. Meng, Y. Wang and Z. Lin, Inorg. Chem. Front., 2019, Advance Article , DOI: 10.1039/C9QI00709A

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