Intrinsic zero thermal expansion in cube cyanurate K6Cd3(C3N3O3)4. Issue 9 (25th July 2019)

• Record Type: Journal Article
• Authors: Xia, Mingjun; Liang, Fei; Meng, Xianghe; Wang, Yonggang; Lin, Zheshuai
• Is Part Of: Inorganic chemistry frontiers. Volume 6:Issue 9(2019)
• Page Start: 2291
• Page End: 2295
• Publication Date: 2019-07-25
• Subjects: Chemistry, Inorganic -- Periodicals; 546.05
• DOI: 10.1039/c9qi00709a
• Languages: English
• ISSNs: 2052-1553

Abstract

Abstract : The novel cubic cyanurate K6 Cd3 (C3 N3 O3 )4 exhibits zero thermal expansion behavior with a very low thermal expansion coefficient of 0.06 MK −1 in a broad temperature range from 10 to 130 K. 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 K6 Cd3 (C3 N3 O3 )4, composed of conjugated [C3 N3 ] 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.